USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 799 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 23 GLN : amide:sc= -0.0711 K(o=-0.78,f=-2.9) USER MOD Set 1.2: A 32 GLN : amide:sc= -0.705 K(o=-0.78,f=-1.6) USER MOD Set 2.1: A 12 THR OG1 : rot 84:sc= 1.1 USER MOD Set 2.2: A 15 SER OG : rot -179:sc= 0.874 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -1.18 K(o=-1.2,f=-5.6!) USER MOD Single : A 36 SER OG : rot 77:sc= -2.86! USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.023 USER MOD Single : A 50 TYR OH : rot 147:sc= 0.195 USER MOD Single : A 53 ASN : amide:sc= -1.65 K(o=-1.6,f=-6.6!) USER MOD Single : A 55 THR OG1 : rot 81:sc= 0.181 USER MOD Single : A 57 SER OG : rot -103:sc= 1.25 USER MOD Single : A 58 SER OG : rot -164:sc= -1.28! USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 69:sc= 1.24 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -154:sc= 0.091 (180deg=-0.534) USER MOD Single : A 65 ASN :FLIP amide:sc= -9.94! C(o=-11!,f=-9.9!) USER MOD Single : A 66 THR OG1 : rot 170:sc= -3.82! USER MOD Single : A 69 MET CE :methyl -113:sc= -21.2! (180deg=-34.1!) USER MOD Single : A 72 THR OG1 : rot 145:sc= 0.902 USER MOD Single : A 75 SER OG : rot 103:sc= 0.0858 USER MOD Single : A 76 TYR OH : rot 90:sc= 0.859 USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.217 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.0147 USER MOD Single : A 87 TYR OH : rot 180:sc= -3.77! USER MOD Single : A 89 GLN : amide:sc= -3.86 K(o=-3.9,f=-5.6!) USER MOD Single : A 90 THR OG1 : rot 43:sc= 0.0409 USER MOD Single : A 91 LYS NZ :NH3+ 151:sc= -0.0744 (180deg=-0.562) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0.0523 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 HIS : no HD1:sc= -2.79! C(o=-2.8!,f=-3.7!) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 MET CE :methyl -155:sc= -7.15! (180deg=-9.03!) USER MOD Single : A 113 ASN : amide:sc= -1.1 K(o=-1.1,f=-5!) USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 71 N THR A 12 6.486 -0.357 -6.610 1.00 0.00 N ATOM 72 CA THR A 12 6.701 0.941 -7.245 1.00 0.00 C ATOM 73 C THR A 12 5.419 1.432 -7.916 1.00 0.00 C ATOM 74 O THR A 12 4.759 0.680 -8.634 1.00 0.00 O ATOM 75 CB THR A 12 7.830 0.851 -8.272 1.00 0.00 C ATOM 76 OG1 THR A 12 7.618 -0.234 -9.157 1.00 0.00 O ATOM 77 CG2 THR A 12 9.196 0.675 -7.644 1.00 0.00 C ATOM 0 HA THR A 12 6.984 1.656 -6.473 1.00 0.00 H new ATOM 0 HB THR A 12 7.814 1.802 -8.805 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.015 0.045 -9.877 1.00 0.00 H new ATOM 0 HG21 THR A 12 9.952 0.618 -8.427 1.00 0.00 H new ATOM 0 HG22 THR A 12 9.410 1.524 -6.994 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.211 -0.244 -7.058 1.00 0.00 H new ATOM 85 N ALA A 13 5.060 2.687 -7.665 1.00 0.00 N ATOM 86 CA ALA A 13 3.844 3.261 -8.233 1.00 0.00 C ATOM 87 C ALA A 13 3.967 3.500 -9.734 1.00 0.00 C ATOM 88 O ALA A 13 2.960 3.680 -10.419 1.00 0.00 O ATOM 89 CB ALA A 13 3.479 4.551 -7.511 1.00 0.00 C ATOM 0 H ALA A 13 5.592 3.325 -7.073 1.00 0.00 H new ATOM 0 HA ALA A 13 3.043 2.536 -8.089 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.570 4.967 -7.946 1.00 0.00 H new ATOM 0 HB2 ALA A 13 3.313 4.342 -6.454 1.00 0.00 H new ATOM 0 HB3 ALA A 13 4.293 5.269 -7.615 1.00 0.00 H new ATOM 95 N ALA A 14 5.190 3.494 -10.251 1.00 0.00 N ATOM 96 CA ALA A 14 5.396 3.703 -11.677 1.00 0.00 C ATOM 97 C ALA A 14 4.895 2.505 -12.472 1.00 0.00 C ATOM 98 O ALA A 14 4.475 2.641 -13.621 1.00 0.00 O ATOM 99 CB ALA A 14 6.855 3.985 -11.981 1.00 0.00 C ATOM 0 H ALA A 14 6.043 3.349 -9.711 1.00 0.00 H new ATOM 0 HA ALA A 14 4.819 4.577 -11.979 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.980 4.137 -13.053 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.171 4.882 -11.448 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.463 3.139 -11.661 1.00 0.00 H new ATOM 105 N SER A 15 4.915 1.336 -11.841 1.00 0.00 N ATOM 106 CA SER A 15 4.433 0.121 -12.480 1.00 0.00 C ATOM 107 C SER A 15 2.907 0.071 -12.415 1.00 0.00 C ATOM 108 O SER A 15 2.273 -0.781 -13.036 1.00 0.00 O ATOM 109 CB SER A 15 5.029 -1.114 -11.802 1.00 0.00 C ATOM 110 OG SER A 15 6.293 -0.823 -11.230 1.00 0.00 O ATOM 0 H SER A 15 5.259 1.206 -10.890 1.00 0.00 H new ATOM 0 HA SER A 15 4.746 0.127 -13.524 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.350 -1.471 -11.028 1.00 0.00 H new ATOM 0 HB3 SER A 15 5.133 -1.918 -12.531 1.00 0.00 H new ATOM 0 HG SER A 15 6.659 -1.632 -10.815 1.00 0.00 H new ATOM 116 N ALA A 16 2.330 1.003 -11.656 1.00 0.00 N ATOM 117 CA ALA A 16 0.886 1.091 -11.498 1.00 0.00 C ATOM 118 C ALA A 16 0.280 1.989 -12.571 1.00 0.00 C ATOM 119 O ALA A 16 0.966 2.399 -13.508 1.00 0.00 O ATOM 120 CB ALA A 16 0.551 1.624 -10.112 1.00 0.00 C ATOM 0 H ALA A 16 2.850 1.712 -11.138 1.00 0.00 H new ATOM 0 HA ALA A 16 0.461 0.094 -11.609 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.531 1.688 -9.999 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.956 0.951 -9.356 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.988 2.615 -9.988 1.00 0.00 H new ATOM 126 N SER A 17 -1.004 2.297 -12.428 1.00 0.00 N ATOM 127 CA SER A 17 -1.691 3.153 -13.385 1.00 0.00 C ATOM 128 C SER A 17 -1.949 4.533 -12.786 1.00 0.00 C ATOM 129 O SER A 17 -2.853 4.707 -11.969 1.00 0.00 O ATOM 130 CB SER A 17 -3.014 2.516 -13.816 1.00 0.00 C ATOM 131 OG SER A 17 -2.864 1.122 -14.027 1.00 0.00 O ATOM 0 H SER A 17 -1.588 1.967 -11.660 1.00 0.00 H new ATOM 0 HA SER A 17 -1.051 3.267 -14.260 1.00 0.00 H new ATOM 0 HB2 SER A 17 -3.772 2.692 -13.053 1.00 0.00 H new ATOM 0 HB3 SER A 17 -3.368 2.990 -14.732 1.00 0.00 H new ATOM 0 HG SER A 17 -3.723 0.738 -14.300 1.00 0.00 H new ATOM 137 N ILE A 18 -1.151 5.510 -13.202 1.00 0.00 N ATOM 138 CA ILE A 18 -1.292 6.876 -12.712 1.00 0.00 C ATOM 139 C ILE A 18 -2.418 7.593 -13.459 1.00 0.00 C ATOM 140 O ILE A 18 -2.208 8.144 -14.540 1.00 0.00 O ATOM 141 CB ILE A 18 0.040 7.661 -12.859 1.00 0.00 C ATOM 142 CG1 ILE A 18 0.927 7.457 -11.638 1.00 0.00 C ATOM 143 CG2 ILE A 18 -0.194 9.137 -13.050 1.00 0.00 C ATOM 144 CD1 ILE A 18 1.435 6.066 -11.521 1.00 0.00 C ATOM 0 H ILE A 18 -0.399 5.381 -13.878 1.00 0.00 H new ATOM 0 HA ILE A 18 -1.544 6.833 -11.652 1.00 0.00 H new ATOM 0 HB ILE A 18 0.536 7.269 -13.746 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.772 8.144 -11.689 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.364 7.710 -10.739 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.764 9.648 -13.148 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.785 9.298 -13.951 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.730 9.535 -12.188 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.061 5.981 -10.633 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.594 5.377 -11.440 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.023 5.818 -12.404 1.00 0.00 H new ATOM 156 N THR A 19 -3.613 7.574 -12.877 1.00 0.00 N ATOM 157 CA THR A 19 -4.771 8.216 -13.489 1.00 0.00 C ATOM 158 C THR A 19 -4.918 9.652 -12.999 1.00 0.00 C ATOM 159 O THR A 19 -4.923 9.909 -11.796 1.00 0.00 O ATOM 160 CB THR A 19 -6.042 7.425 -13.175 1.00 0.00 C ATOM 161 OG1 THR A 19 -5.916 6.081 -13.603 1.00 0.00 O ATOM 162 CG2 THR A 19 -7.282 8.001 -13.825 1.00 0.00 C ATOM 0 H THR A 19 -3.805 7.121 -11.983 1.00 0.00 H new ATOM 0 HA THR A 19 -4.619 8.233 -14.568 1.00 0.00 H new ATOM 0 HB THR A 19 -6.158 7.484 -12.093 1.00 0.00 H new ATOM 0 HG1 THR A 19 -6.738 5.592 -13.392 1.00 0.00 H new ATOM 0 HG21 THR A 19 -8.147 7.392 -13.561 1.00 0.00 H new ATOM 0 HG22 THR A 19 -7.436 9.022 -13.474 1.00 0.00 H new ATOM 0 HG23 THR A 19 -7.157 8.004 -14.908 1.00 0.00 H new ATOM 170 N ALA A 20 -5.038 10.586 -13.940 1.00 0.00 N ATOM 171 CA ALA A 20 -5.186 11.999 -13.602 1.00 0.00 C ATOM 172 C ALA A 20 -6.235 12.197 -12.508 1.00 0.00 C ATOM 173 O ALA A 20 -7.215 11.454 -12.442 1.00 0.00 O ATOM 174 CB ALA A 20 -5.557 12.801 -14.841 1.00 0.00 C ATOM 0 H ALA A 20 -5.036 10.390 -14.941 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.230 12.358 -13.221 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.664 13.853 -14.575 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.774 12.695 -15.591 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.499 12.431 -15.245 1.00 0.00 H new ATOM 180 N PRO A 21 -6.045 13.195 -11.622 1.00 0.00 N ATOM 181 CA PRO A 21 -4.894 14.111 -11.654 1.00 0.00 C ATOM 182 C PRO A 21 -3.593 13.476 -11.162 1.00 0.00 C ATOM 183 O PRO A 21 -2.594 14.172 -10.980 1.00 0.00 O ATOM 184 CB PRO A 21 -5.320 15.224 -10.698 1.00 0.00 C ATOM 185 CG PRO A 21 -6.205 14.539 -9.720 1.00 0.00 C ATOM 186 CD PRO A 21 -6.962 13.514 -10.515 1.00 0.00 C ATOM 0 HA PRO A 21 -4.673 14.436 -12.671 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -4.460 15.679 -10.207 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -5.847 16.021 -11.223 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -5.624 14.070 -8.926 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -6.884 15.246 -9.243 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.193 12.632 -9.917 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -7.910 13.909 -10.880 1.00 0.00 H new ATOM 194 N ALA A 22 -3.597 12.162 -10.949 1.00 0.00 N ATOM 195 CA ALA A 22 -2.398 11.476 -10.483 1.00 0.00 C ATOM 196 C ALA A 22 -1.260 11.667 -11.475 1.00 0.00 C ATOM 197 O ALA A 22 -1.479 11.701 -12.686 1.00 0.00 O ATOM 198 CB ALA A 22 -2.671 9.995 -10.264 1.00 0.00 C ATOM 0 H ALA A 22 -4.407 11.559 -11.090 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.105 11.911 -9.528 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.762 9.505 -9.917 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.455 9.876 -9.517 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.992 9.542 -11.202 1.00 0.00 H new ATOM 204 N GLN A 23 -0.047 11.802 -10.958 1.00 0.00 N ATOM 205 CA GLN A 23 1.119 12.003 -11.807 1.00 0.00 C ATOM 206 C GLN A 23 2.347 11.304 -11.239 1.00 0.00 C ATOM 207 O GLN A 23 2.783 11.595 -10.125 1.00 0.00 O ATOM 208 CB GLN A 23 1.401 13.498 -11.972 1.00 0.00 C ATOM 209 CG GLN A 23 1.721 14.204 -10.665 1.00 0.00 C ATOM 210 CD GLN A 23 0.957 15.503 -10.500 1.00 0.00 C ATOM 211 OE1 GLN A 23 1.549 16.574 -10.370 1.00 0.00 O ATOM 212 NE2 GLN A 23 -0.368 15.414 -10.505 1.00 0.00 N ATOM 0 H GLN A 23 0.155 11.776 -9.959 1.00 0.00 H new ATOM 0 HA GLN A 23 0.901 11.566 -12.782 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.237 13.628 -12.660 1.00 0.00 H new ATOM 0 HB3 GLN A 23 0.534 13.974 -12.430 1.00 0.00 H new ATOM 0 HG2 GLN A 23 1.487 13.541 -9.832 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.791 14.408 -10.619 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -0.818 14.505 -10.616 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -0.936 16.254 -10.398 1.00 0.00 H new ATOM 221 N LEU A 24 2.901 10.380 -12.016 1.00 0.00 N ATOM 222 CA LEU A 24 4.077 9.635 -11.604 1.00 0.00 C ATOM 223 C LEU A 24 5.343 10.466 -11.793 1.00 0.00 C ATOM 224 O LEU A 24 5.718 10.798 -12.918 1.00 0.00 O ATOM 225 CB LEU A 24 4.175 8.352 -12.429 1.00 0.00 C ATOM 226 CG LEU A 24 4.559 7.087 -11.663 1.00 0.00 C ATOM 227 CD1 LEU A 24 6.069 6.984 -11.538 1.00 0.00 C ATOM 228 CD2 LEU A 24 3.912 7.043 -10.289 1.00 0.00 C ATOM 0 H LEU A 24 2.549 10.130 -12.940 1.00 0.00 H new ATOM 0 HA LEU A 24 3.984 9.391 -10.546 1.00 0.00 H new ATOM 0 HB2 LEU A 24 3.213 8.181 -12.913 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.907 8.509 -13.221 1.00 0.00 H new ATOM 0 HG LEU A 24 4.189 6.233 -12.230 1.00 0.00 H new ATOM 0 HD11 LEU A 24 6.328 6.078 -10.990 1.00 0.00 H new ATOM 0 HD12 LEU A 24 6.515 6.947 -12.532 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.450 7.853 -11.002 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.209 6.129 -9.776 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.234 7.907 -9.707 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.828 7.062 -10.397 1.00 0.00 H new ATOM 240 N VAL A 25 5.998 10.795 -10.685 1.00 0.00 N ATOM 241 CA VAL A 25 7.224 11.584 -10.725 1.00 0.00 C ATOM 242 C VAL A 25 8.286 10.986 -9.810 1.00 0.00 C ATOM 243 O VAL A 25 8.098 10.904 -8.596 1.00 0.00 O ATOM 244 CB VAL A 25 6.968 13.045 -10.312 1.00 0.00 C ATOM 245 CG1 VAL A 25 6.292 13.808 -11.441 1.00 0.00 C ATOM 246 CG2 VAL A 25 6.131 13.103 -9.042 1.00 0.00 C ATOM 0 H VAL A 25 5.700 10.527 -9.747 1.00 0.00 H new ATOM 0 HA VAL A 25 7.580 11.566 -11.755 1.00 0.00 H new ATOM 0 HB VAL A 25 7.928 13.519 -10.108 1.00 0.00 H new ATOM 0 HG11 VAL A 25 6.119 14.839 -11.131 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.933 13.797 -12.322 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.339 13.336 -11.680 1.00 0.00 H new ATOM 0 HG21 VAL A 25 5.961 14.144 -8.766 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.173 12.612 -9.215 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.659 12.595 -8.235 1.00 0.00 H new ATOM 256 N GLY A 26 9.401 10.566 -10.400 1.00 0.00 N ATOM 257 CA GLY A 26 10.473 9.977 -9.620 1.00 0.00 C ATOM 258 C GLY A 26 10.074 8.651 -9.004 1.00 0.00 C ATOM 259 O GLY A 26 10.459 8.341 -7.877 1.00 0.00 O ATOM 0 H GLY A 26 9.581 10.623 -11.402 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.345 9.831 -10.257 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.767 10.668 -8.830 1.00 0.00 H new ATOM 263 N ASN A 27 9.298 7.868 -9.746 1.00 0.00 N ATOM 264 CA ASN A 27 8.840 6.567 -9.270 1.00 0.00 C ATOM 265 C ASN A 27 7.902 6.721 -8.076 1.00 0.00 C ATOM 266 O ASN A 27 7.809 5.832 -7.230 1.00 0.00 O ATOM 267 CB ASN A 27 10.035 5.689 -8.887 1.00 0.00 C ATOM 268 CG ASN A 27 9.886 4.263 -9.382 1.00 0.00 C ATOM 269 OD1 ASN A 27 9.504 3.369 -8.627 1.00 0.00 O ATOM 270 ND2 ASN A 27 10.189 4.045 -10.656 1.00 0.00 N ATOM 0 H ASN A 27 8.972 8.112 -10.681 1.00 0.00 H new ATOM 0 HA ASN A 27 8.290 6.086 -10.079 1.00 0.00 H new ATOM 0 HB2 ASN A 27 10.947 6.121 -9.300 1.00 0.00 H new ATOM 0 HB3 ASN A 27 10.147 5.685 -7.803 1.00 0.00 H new ATOM 0 HD21 ASN A 27 10.109 3.106 -11.046 1.00 0.00 H new ATOM 0 HD22 ASN A 27 10.502 4.817 -11.245 1.00 0.00 H new ATOM 277 N VAL A 28 7.209 7.855 -8.014 1.00 0.00 N ATOM 278 CA VAL A 28 6.281 8.124 -6.923 1.00 0.00 C ATOM 279 C VAL A 28 4.964 8.688 -7.447 1.00 0.00 C ATOM 280 O VAL A 28 4.889 9.854 -7.835 1.00 0.00 O ATOM 281 CB VAL A 28 6.882 9.119 -5.913 1.00 0.00 C ATOM 282 CG1 VAL A 28 5.976 9.264 -4.699 1.00 0.00 C ATOM 283 CG2 VAL A 28 8.280 8.682 -5.498 1.00 0.00 C ATOM 0 H VAL A 28 7.273 8.601 -8.707 1.00 0.00 H new ATOM 0 HA VAL A 28 6.094 7.173 -6.424 1.00 0.00 H new ATOM 0 HB VAL A 28 6.960 10.093 -6.395 1.00 0.00 H new ATOM 0 HG11 VAL A 28 6.418 9.971 -3.997 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.999 9.630 -5.016 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.861 8.295 -4.213 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.688 9.398 -4.784 1.00 0.00 H new ATOM 0 HG22 VAL A 28 8.231 7.696 -5.036 1.00 0.00 H new ATOM 0 HG23 VAL A 28 8.924 8.639 -6.377 1.00 0.00 H new ATOM 293 N GLY A 29 3.924 7.859 -7.448 1.00 0.00 N ATOM 294 CA GLY A 29 2.626 8.305 -7.919 1.00 0.00 C ATOM 295 C GLY A 29 1.943 9.192 -6.908 1.00 0.00 C ATOM 296 O GLY A 29 1.480 8.721 -5.879 1.00 0.00 O ATOM 0 H GLY A 29 3.957 6.890 -7.132 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.745 8.847 -8.857 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.997 7.440 -8.128 1.00 0.00 H new ATOM 300 N GLU A 30 1.889 10.481 -7.192 1.00 0.00 N ATOM 301 CA GLU A 30 1.267 11.430 -6.276 1.00 0.00 C ATOM 302 C GLU A 30 -0.088 11.889 -6.786 1.00 0.00 C ATOM 303 O GLU A 30 -0.191 12.498 -7.851 1.00 0.00 O ATOM 304 CB GLU A 30 2.178 12.641 -6.043 1.00 0.00 C ATOM 305 CG GLU A 30 3.106 12.954 -7.207 1.00 0.00 C ATOM 306 CD GLU A 30 3.885 14.238 -7.001 1.00 0.00 C ATOM 307 OE1 GLU A 30 3.287 15.326 -7.143 1.00 0.00 O ATOM 308 OE2 GLU A 30 5.094 14.157 -6.696 1.00 0.00 O ATOM 0 H GLU A 30 2.265 10.897 -8.044 1.00 0.00 H new ATOM 0 HA GLU A 30 1.117 10.914 -5.327 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.558 13.515 -5.841 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.779 12.464 -5.151 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.804 12.128 -7.343 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.521 13.031 -8.123 1.00 0.00 H new ATOM 315 N LEU A 31 -1.128 11.599 -6.012 1.00 0.00 N ATOM 316 CA LEU A 31 -2.477 11.990 -6.380 1.00 0.00 C ATOM 317 C LEU A 31 -2.717 13.449 -6.016 1.00 0.00 C ATOM 318 O LEU A 31 -2.075 13.979 -5.106 1.00 0.00 O ATOM 319 CB LEU A 31 -3.500 11.100 -5.685 1.00 0.00 C ATOM 320 CG LEU A 31 -3.291 9.611 -5.940 1.00 0.00 C ATOM 321 CD1 LEU A 31 -4.285 8.769 -5.148 1.00 0.00 C ATOM 322 CD2 LEU A 31 -3.397 9.341 -7.432 1.00 0.00 C ATOM 0 H LEU A 31 -1.059 11.095 -5.128 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.591 11.871 -7.458 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.460 11.285 -4.612 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.499 11.380 -6.019 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.296 9.326 -5.598 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.110 7.713 -5.351 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.156 8.960 -4.083 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.301 9.032 -5.443 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.248 8.278 -7.621 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.384 9.638 -7.786 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.635 9.913 -7.960 1.00 0.00 H new ATOM 334 N GLN A 32 -3.631 14.102 -6.727 1.00 0.00 N ATOM 335 CA GLN A 32 -3.917 15.509 -6.464 1.00 0.00 C ATOM 336 C GLN A 32 -5.400 15.824 -6.618 1.00 0.00 C ATOM 337 O GLN A 32 -5.848 16.237 -7.686 1.00 0.00 O ATOM 338 CB GLN A 32 -3.101 16.382 -7.414 1.00 0.00 C ATOM 339 CG GLN A 32 -1.716 16.726 -6.891 1.00 0.00 C ATOM 340 CD GLN A 32 -0.868 17.449 -7.919 1.00 0.00 C ATOM 341 OE1 GLN A 32 0.305 17.127 -8.112 1.00 0.00 O ATOM 342 NE2 GLN A 32 -1.460 18.433 -8.587 1.00 0.00 N ATOM 0 H GLN A 32 -4.180 13.687 -7.480 1.00 0.00 H new ATOM 0 HA GLN A 32 -3.640 15.721 -5.431 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -3.001 15.868 -8.370 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -3.648 17.306 -7.604 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -1.812 17.349 -6.002 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -1.209 15.811 -6.586 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -2.434 18.666 -8.395 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -0.940 18.955 -9.292 1.00 0.00 H new ATOM 351 N GLY A 33 -6.156 15.635 -5.544 1.00 0.00 N ATOM 352 CA GLY A 33 -7.581 15.906 -5.583 1.00 0.00 C ATOM 353 C GLY A 33 -8.366 14.721 -6.098 1.00 0.00 C ATOM 354 O GLY A 33 -7.825 13.883 -6.818 1.00 0.00 O ATOM 0 H GLY A 33 -5.808 15.299 -4.646 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -7.929 16.165 -4.583 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -7.769 16.770 -6.220 1.00 0.00 H new ATOM 358 N ALA A 34 -9.644 14.644 -5.736 1.00 0.00 N ATOM 359 CA ALA A 34 -10.490 13.543 -6.181 1.00 0.00 C ATOM 360 C ALA A 34 -10.323 13.315 -7.684 1.00 0.00 C ATOM 361 O ALA A 34 -9.904 14.216 -8.412 1.00 0.00 O ATOM 362 CB ALA A 34 -11.950 13.819 -5.846 1.00 0.00 C ATOM 0 H ALA A 34 -10.113 15.326 -5.140 1.00 0.00 H new ATOM 0 HA ALA A 34 -10.181 12.639 -5.656 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -12.565 12.986 -6.186 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.060 13.935 -4.768 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -12.271 14.734 -6.344 1.00 0.00 H new ATOM 368 N GLY A 35 -10.643 12.112 -8.141 1.00 0.00 N ATOM 369 CA GLY A 35 -10.510 11.796 -9.551 1.00 0.00 C ATOM 370 C GLY A 35 -9.248 11.006 -9.856 1.00 0.00 C ATOM 371 O GLY A 35 -9.160 10.345 -10.891 1.00 0.00 O ATOM 0 H GLY A 35 -10.992 11.349 -7.561 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.379 11.224 -9.875 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.504 12.721 -10.128 1.00 0.00 H new ATOM 375 N SER A 36 -8.267 11.078 -8.959 1.00 0.00 N ATOM 376 CA SER A 36 -7.007 10.366 -9.148 1.00 0.00 C ATOM 377 C SER A 36 -7.140 8.911 -8.719 1.00 0.00 C ATOM 378 O SER A 36 -7.952 8.585 -7.853 1.00 0.00 O ATOM 379 CB SER A 36 -5.880 11.042 -8.358 1.00 0.00 C ATOM 380 OG SER A 36 -6.263 12.325 -7.897 1.00 0.00 O ATOM 0 H SER A 36 -8.321 11.621 -8.097 1.00 0.00 H new ATOM 0 HA SER A 36 -6.760 10.397 -10.209 1.00 0.00 H new ATOM 0 HB2 SER A 36 -5.605 10.417 -7.509 1.00 0.00 H new ATOM 0 HB3 SER A 36 -4.995 11.131 -8.989 1.00 0.00 H new ATOM 0 HG SER A 36 -6.852 12.231 -7.120 1.00 0.00 H new ATOM 386 N ALA A 37 -6.342 8.038 -9.325 1.00 0.00 N ATOM 387 CA ALA A 37 -6.388 6.621 -8.991 1.00 0.00 C ATOM 388 C ALA A 37 -5.083 5.911 -9.329 1.00 0.00 C ATOM 389 O ALA A 37 -4.845 5.534 -10.477 1.00 0.00 O ATOM 390 CB ALA A 37 -7.550 5.944 -9.702 1.00 0.00 C ATOM 0 H ALA A 37 -5.662 8.285 -10.044 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.534 6.548 -7.913 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -7.569 4.886 -9.441 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -8.486 6.411 -9.395 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -7.428 6.050 -10.780 1.00 0.00 H new ATOM 396 N VAL A 38 -4.260 5.697 -8.310 1.00 0.00 N ATOM 397 CA VAL A 38 -2.995 4.991 -8.481 1.00 0.00 C ATOM 398 C VAL A 38 -3.251 3.504 -8.287 1.00 0.00 C ATOM 399 O VAL A 38 -3.167 2.990 -7.173 1.00 0.00 O ATOM 400 CB VAL A 38 -1.913 5.456 -7.465 1.00 0.00 C ATOM 401 CG1 VAL A 38 -0.609 5.784 -8.166 1.00 0.00 C ATOM 402 CG2 VAL A 38 -2.377 6.661 -6.666 1.00 0.00 C ATOM 0 H VAL A 38 -4.446 6.003 -7.355 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.617 5.207 -9.480 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.748 4.626 -6.777 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.128 6.106 -7.431 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.242 4.898 -8.684 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.775 6.584 -8.888 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.595 6.957 -5.967 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.589 7.487 -7.344 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.280 6.405 -6.113 1.00 0.00 H new ATOM 412 N ILE A 39 -3.600 2.821 -9.370 1.00 0.00 N ATOM 413 CA ILE A 39 -3.913 1.402 -9.296 1.00 0.00 C ATOM 414 C ILE A 39 -2.687 0.525 -9.513 1.00 0.00 C ATOM 415 O ILE A 39 -1.971 0.661 -10.505 1.00 0.00 O ATOM 416 CB ILE A 39 -4.998 1.015 -10.318 1.00 0.00 C ATOM 417 CG1 ILE A 39 -6.182 1.979 -10.224 1.00 0.00 C ATOM 418 CG2 ILE A 39 -5.457 -0.417 -10.090 1.00 0.00 C ATOM 419 CD1 ILE A 39 -6.879 1.952 -8.881 1.00 0.00 C ATOM 0 H ILE A 39 -3.673 3.225 -10.304 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.285 1.228 -8.286 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.573 1.084 -11.319 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.832 2.992 -10.422 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -6.903 1.733 -11.003 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -6.224 -0.674 -10.821 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.609 -1.093 -10.201 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -5.868 -0.512 -9.085 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -7.708 2.660 -8.887 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -7.260 0.949 -8.689 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.172 2.228 -8.099 1.00 0.00 H new ATOM 431 N TRP A 40 -2.466 -0.385 -8.573 1.00 0.00 N ATOM 432 CA TRP A 40 -1.344 -1.310 -8.635 1.00 0.00 C ATOM 433 C TRP A 40 -1.802 -2.679 -9.131 1.00 0.00 C ATOM 434 O TRP A 40 -2.751 -3.254 -8.598 1.00 0.00 O ATOM 435 CB TRP A 40 -0.716 -1.454 -7.250 1.00 0.00 C ATOM 436 CG TRP A 40 0.551 -0.677 -7.071 1.00 0.00 C ATOM 437 CD1 TRP A 40 1.784 -0.999 -7.554 1.00 0.00 C ATOM 438 CD2 TRP A 40 0.710 0.546 -6.343 1.00 0.00 C ATOM 439 NE1 TRP A 40 2.703 -0.057 -7.163 1.00 0.00 N ATOM 440 CE2 TRP A 40 2.067 0.904 -6.419 1.00 0.00 C ATOM 441 CE3 TRP A 40 -0.164 1.371 -5.634 1.00 0.00 C ATOM 442 CZ2 TRP A 40 2.568 2.051 -5.808 1.00 0.00 C ATOM 443 CZ3 TRP A 40 0.333 2.507 -5.029 1.00 0.00 C ATOM 444 CH2 TRP A 40 1.687 2.839 -5.118 1.00 0.00 C ATOM 0 H TRP A 40 -3.057 -0.502 -7.750 1.00 0.00 H new ATOM 0 HA TRP A 40 -0.607 -0.913 -9.333 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -1.438 -1.130 -6.500 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -0.513 -2.508 -7.063 1.00 0.00 H new ATOM 0 HD1 TRP A 40 2.006 -1.868 -8.156 1.00 0.00 H new ATOM 0 HE1 TRP A 40 3.698 -0.070 -7.389 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.213 1.124 -5.560 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 3.614 2.309 -5.876 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -0.336 3.151 -4.477 1.00 0.00 H new ATOM 0 HH2 TRP A 40 2.046 3.735 -4.633 1.00 0.00 H new ATOM 455 N ASN A 41 -1.120 -3.201 -10.143 1.00 0.00 N ATOM 456 CA ASN A 41 -1.459 -4.508 -10.694 1.00 0.00 C ATOM 457 C ASN A 41 -0.427 -5.546 -10.267 1.00 0.00 C ATOM 458 O ASN A 41 0.729 -5.493 -10.687 1.00 0.00 O ATOM 459 CB ASN A 41 -1.534 -4.443 -12.222 1.00 0.00 C ATOM 460 CG ASN A 41 -2.266 -3.209 -12.716 1.00 0.00 C ATOM 461 OD1 ASN A 41 -3.474 -3.071 -12.522 1.00 0.00 O ATOM 462 ND2 ASN A 41 -1.535 -2.305 -13.358 1.00 0.00 N ATOM 0 H ASN A 41 -0.331 -2.741 -10.598 1.00 0.00 H new ATOM 0 HA ASN A 41 -2.435 -4.801 -10.308 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -0.524 -4.451 -12.633 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -2.038 -5.334 -12.596 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -1.972 -1.455 -13.713 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -0.537 -2.461 -13.496 1.00 0.00 H new ATOM 469 N VAL A 42 -0.847 -6.484 -9.423 1.00 0.00 N ATOM 470 CA VAL A 42 0.052 -7.524 -8.936 1.00 0.00 C ATOM 471 C VAL A 42 -0.693 -8.832 -8.683 1.00 0.00 C ATOM 472 O VAL A 42 -1.918 -8.848 -8.561 1.00 0.00 O ATOM 473 CB VAL A 42 0.763 -7.083 -7.640 1.00 0.00 C ATOM 474 CG1 VAL A 42 1.469 -5.751 -7.846 1.00 0.00 C ATOM 475 CG2 VAL A 42 -0.225 -6.992 -6.485 1.00 0.00 C ATOM 0 H VAL A 42 -1.800 -6.545 -9.064 1.00 0.00 H new ATOM 0 HA VAL A 42 0.797 -7.689 -9.714 1.00 0.00 H new ATOM 0 HB VAL A 42 1.511 -7.835 -7.389 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.965 -5.455 -6.922 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.210 -5.851 -8.639 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.739 -4.991 -8.125 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.299 -6.679 -5.582 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.000 -6.264 -6.725 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.682 -7.967 -6.320 1.00 0.00 H new ATOM 485 N ASP A 43 0.058 -9.926 -8.605 1.00 0.00 N ATOM 486 CA ASP A 43 -0.524 -11.241 -8.366 1.00 0.00 C ATOM 487 C ASP A 43 -0.117 -11.779 -6.996 1.00 0.00 C ATOM 488 O ASP A 43 1.070 -11.878 -6.685 1.00 0.00 O ATOM 489 CB ASP A 43 -0.087 -12.215 -9.463 1.00 0.00 C ATOM 490 CG ASP A 43 1.399 -12.514 -9.418 1.00 0.00 C ATOM 491 OD1 ASP A 43 2.193 -11.561 -9.266 1.00 0.00 O ATOM 492 OD2 ASP A 43 1.770 -13.701 -9.535 1.00 0.00 O ATOM 0 H ASP A 43 1.073 -9.927 -8.704 1.00 0.00 H new ATOM 0 HA ASP A 43 -1.609 -11.142 -8.385 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.645 -13.146 -9.361 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -0.341 -11.797 -10.437 1.00 0.00 H new ATOM 497 N VAL A 44 -1.109 -12.126 -6.182 1.00 0.00 N ATOM 498 CA VAL A 44 -0.852 -12.656 -4.845 1.00 0.00 C ATOM 499 C VAL A 44 0.037 -13.899 -4.904 1.00 0.00 C ATOM 500 O VAL A 44 -0.289 -14.871 -5.586 1.00 0.00 O ATOM 501 CB VAL A 44 -2.160 -13.015 -4.111 1.00 0.00 C ATOM 502 CG1 VAL A 44 -2.782 -11.775 -3.489 1.00 0.00 C ATOM 503 CG2 VAL A 44 -3.140 -13.699 -5.055 1.00 0.00 C ATOM 0 H VAL A 44 -2.097 -12.050 -6.423 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.341 -11.867 -4.293 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.921 -13.714 -3.310 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.704 -12.049 -2.976 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.085 -11.338 -2.774 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.004 -11.048 -4.270 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.055 -13.943 -4.515 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.374 -13.030 -5.883 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.693 -14.614 -5.443 1.00 0.00 H new ATOM 513 N PRO A 45 1.179 -13.882 -4.192 1.00 0.00 N ATOM 514 CA PRO A 45 2.117 -15.012 -4.175 1.00 0.00 C ATOM 515 C PRO A 45 1.504 -16.289 -3.603 1.00 0.00 C ATOM 516 O PRO A 45 1.345 -17.281 -4.314 1.00 0.00 O ATOM 517 CB PRO A 45 3.265 -14.524 -3.281 1.00 0.00 C ATOM 518 CG PRO A 45 2.694 -13.399 -2.487 1.00 0.00 C ATOM 519 CD PRO A 45 1.652 -12.763 -3.360 1.00 0.00 C ATOM 0 HA PRO A 45 2.429 -15.280 -5.184 1.00 0.00 H new ATOM 0 HB2 PRO A 45 3.624 -15.322 -2.631 1.00 0.00 H new ATOM 0 HB3 PRO A 45 4.115 -14.193 -3.878 1.00 0.00 H new ATOM 0 HG2 PRO A 45 2.256 -13.761 -1.557 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.468 -12.680 -2.216 1.00 0.00 H new ATOM 0 HD2 PRO A 45 0.844 -12.330 -2.771 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.071 -11.960 -3.966 1.00 0.00 H new ATOM 527 N VAL A 46 1.176 -16.268 -2.313 1.00 0.00 N ATOM 528 CA VAL A 46 0.598 -17.438 -1.653 1.00 0.00 C ATOM 529 C VAL A 46 -0.705 -17.103 -0.933 1.00 0.00 C ATOM 530 O VAL A 46 -1.239 -16.001 -1.063 1.00 0.00 O ATOM 531 CB VAL A 46 1.578 -18.066 -0.632 1.00 0.00 C ATOM 532 CG1 VAL A 46 2.106 -19.393 -1.152 1.00 0.00 C ATOM 533 CG2 VAL A 46 2.725 -17.116 -0.306 1.00 0.00 C ATOM 0 H VAL A 46 1.300 -15.458 -1.706 1.00 0.00 H new ATOM 0 HA VAL A 46 0.394 -18.156 -2.448 1.00 0.00 H new ATOM 0 HB VAL A 46 1.030 -18.249 0.292 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.794 -19.822 -0.423 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.274 -20.078 -1.312 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.630 -19.232 -2.094 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.395 -17.587 0.413 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.276 -16.885 -1.217 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.325 -16.195 0.119 1.00 0.00 H new ATOM 543 N THR A 47 -1.207 -18.071 -0.170 1.00 0.00 N ATOM 544 CA THR A 47 -2.442 -17.903 0.584 1.00 0.00 C ATOM 545 C THR A 47 -2.141 -17.544 2.037 1.00 0.00 C ATOM 546 O THR A 47 -1.921 -18.423 2.870 1.00 0.00 O ATOM 547 CB THR A 47 -3.272 -19.188 0.525 1.00 0.00 C ATOM 548 OG1 THR A 47 -2.691 -20.123 -0.368 1.00 0.00 O ATOM 549 CG2 THR A 47 -4.699 -18.959 0.081 1.00 0.00 C ATOM 0 H THR A 47 -0.771 -18.987 -0.059 1.00 0.00 H new ATOM 0 HA THR A 47 -3.011 -17.088 0.136 1.00 0.00 H new ATOM 0 HB THR A 47 -3.281 -19.570 1.546 1.00 0.00 H new ATOM 0 HG1 THR A 47 -3.236 -20.937 -0.389 1.00 0.00 H new ATOM 0 HG21 THR A 47 -5.231 -19.910 0.061 1.00 0.00 H new ATOM 0 HG22 THR A 47 -5.193 -18.282 0.778 1.00 0.00 H new ATOM 0 HG23 THR A 47 -4.704 -18.520 -0.917 1.00 0.00 H new ATOM 557 N GLY A 48 -2.132 -16.249 2.335 1.00 0.00 N ATOM 558 CA GLY A 48 -1.855 -15.802 3.689 1.00 0.00 C ATOM 559 C GLY A 48 -2.367 -14.400 3.952 1.00 0.00 C ATOM 560 O GLY A 48 -2.706 -13.673 3.018 1.00 0.00 O ATOM 0 H GLY A 48 -2.311 -15.501 1.665 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -2.314 -16.492 4.397 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.780 -15.832 3.866 1.00 0.00 H new ATOM 564 N GLU A 49 -2.427 -14.018 5.224 1.00 0.00 N ATOM 565 CA GLU A 49 -2.905 -12.692 5.596 1.00 0.00 C ATOM 566 C GLU A 49 -1.838 -11.636 5.351 1.00 0.00 C ATOM 567 O GLU A 49 -0.843 -11.567 6.072 1.00 0.00 O ATOM 568 CB GLU A 49 -3.329 -12.658 7.065 1.00 0.00 C ATOM 569 CG GLU A 49 -3.905 -11.317 7.497 1.00 0.00 C ATOM 570 CD GLU A 49 -4.593 -11.386 8.847 1.00 0.00 C ATOM 571 OE1 GLU A 49 -4.326 -12.346 9.601 1.00 0.00 O ATOM 572 OE2 GLU A 49 -5.400 -10.482 9.149 1.00 0.00 O ATOM 0 H GLU A 49 -2.152 -14.605 6.011 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.770 -12.470 4.970 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.071 -13.437 7.239 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.467 -12.893 7.690 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.105 -10.578 7.538 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.618 -10.973 6.747 1.00 0.00 H new ATOM 579 N TYR A 50 -2.054 -10.806 4.337 1.00 0.00 N ATOM 580 CA TYR A 50 -1.111 -9.746 4.014 1.00 0.00 C ATOM 581 C TYR A 50 -1.654 -8.404 4.481 1.00 0.00 C ATOM 582 O TYR A 50 -2.726 -7.971 4.057 1.00 0.00 O ATOM 583 CB TYR A 50 -0.827 -9.703 2.509 1.00 0.00 C ATOM 584 CG TYR A 50 -0.472 -11.047 1.902 1.00 0.00 C ATOM 585 CD1 TYR A 50 -0.155 -12.143 2.698 1.00 0.00 C ATOM 586 CD2 TYR A 50 -0.462 -11.217 0.525 1.00 0.00 C ATOM 587 CE1 TYR A 50 0.161 -13.365 2.137 1.00 0.00 C ATOM 588 CE2 TYR A 50 -0.149 -12.435 -0.042 1.00 0.00 C ATOM 589 CZ TYR A 50 0.162 -13.505 0.767 1.00 0.00 C ATOM 590 OH TYR A 50 0.473 -14.719 0.204 1.00 0.00 O ATOM 0 H TYR A 50 -2.871 -10.847 3.728 1.00 0.00 H new ATOM 0 HA TYR A 50 -0.175 -9.954 4.532 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -1.704 -9.306 1.997 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -0.009 -9.007 2.325 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -0.156 -12.037 3.773 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -0.704 -10.381 -0.114 1.00 0.00 H new ATOM 0 HE1 TYR A 50 0.406 -14.206 2.769 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -0.148 -12.549 -1.116 1.00 0.00 H new ATOM 0 HH TYR A 50 -0.037 -14.836 -0.624 1.00 0.00 H new ATOM 600 N ARG A 51 -0.915 -7.755 5.365 1.00 0.00 N ATOM 601 CA ARG A 51 -1.329 -6.469 5.898 1.00 0.00 C ATOM 602 C ARG A 51 -0.912 -5.336 4.961 1.00 0.00 C ATOM 603 O ARG A 51 0.250 -5.233 4.566 1.00 0.00 O ATOM 604 CB ARG A 51 -0.749 -6.276 7.297 1.00 0.00 C ATOM 605 CG ARG A 51 0.736 -6.587 7.391 1.00 0.00 C ATOM 606 CD ARG A 51 1.438 -5.662 8.372 1.00 0.00 C ATOM 607 NE ARG A 51 2.647 -6.267 8.925 1.00 0.00 N ATOM 608 CZ ARG A 51 3.385 -5.709 9.883 1.00 0.00 C ATOM 609 NH1 ARG A 51 3.041 -4.535 10.397 1.00 0.00 N ATOM 610 NH2 ARG A 51 4.470 -6.328 10.327 1.00 0.00 N ATOM 0 H ARG A 51 -0.026 -8.098 5.728 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.416 -6.448 5.972 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.916 -5.246 7.611 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.290 -6.914 7.996 1.00 0.00 H new ATOM 0 HG2 ARG A 51 0.873 -7.622 7.704 1.00 0.00 H new ATOM 0 HG3 ARG A 51 1.192 -6.489 6.406 1.00 0.00 H new ATOM 0 HD2 ARG A 51 1.696 -4.730 7.870 1.00 0.00 H new ATOM 0 HD3 ARG A 51 0.756 -5.409 9.183 1.00 0.00 H new ATOM 0 HE ARG A 51 2.944 -7.170 8.556 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.207 -4.055 10.059 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.610 -4.113 11.131 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.739 -7.230 9.935 1.00 0.00 H new ATOM 0 HH22 ARG A 51 5.036 -5.902 11.061 1.00 0.00 H new ATOM 624 N ILE A 52 -1.885 -4.508 4.591 1.00 0.00 N ATOM 625 CA ILE A 52 -1.659 -3.395 3.677 1.00 0.00 C ATOM 626 C ILE A 52 -1.009 -2.201 4.364 1.00 0.00 C ATOM 627 O ILE A 52 -1.577 -1.599 5.274 1.00 0.00 O ATOM 628 CB ILE A 52 -2.988 -2.946 3.022 1.00 0.00 C ATOM 629 CG1 ILE A 52 -3.637 -4.121 2.280 1.00 0.00 C ATOM 630 CG2 ILE A 52 -2.765 -1.777 2.067 1.00 0.00 C ATOM 631 CD1 ILE A 52 -2.640 -5.028 1.597 1.00 0.00 C ATOM 0 H ILE A 52 -2.849 -4.590 4.915 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.973 -3.758 2.911 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.658 -2.612 3.814 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.224 -4.707 2.987 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.331 -3.731 1.535 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.716 -1.484 1.622 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.346 -0.934 2.616 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.074 -2.077 1.280 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.169 -5.836 1.093 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.069 -4.456 0.865 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.961 -5.447 2.340 1.00 0.00 H new ATOM 643 N ASN A 53 0.178 -1.852 3.888 1.00 0.00 N ATOM 644 CA ASN A 53 0.919 -0.715 4.409 1.00 0.00 C ATOM 645 C ASN A 53 1.152 0.286 3.285 1.00 0.00 C ATOM 646 O ASN A 53 1.912 0.015 2.355 1.00 0.00 O ATOM 647 CB ASN A 53 2.254 -1.166 5.004 1.00 0.00 C ATOM 648 CG ASN A 53 2.110 -2.386 5.893 1.00 0.00 C ATOM 649 OD1 ASN A 53 1.865 -2.268 7.094 1.00 0.00 O ATOM 650 ND2 ASN A 53 2.263 -3.567 5.306 1.00 0.00 N ATOM 0 H ASN A 53 0.652 -2.348 3.133 1.00 0.00 H new ATOM 0 HA ASN A 53 0.340 -0.244 5.203 1.00 0.00 H new ATOM 0 HB2 ASN A 53 2.951 -1.389 4.196 1.00 0.00 H new ATOM 0 HB3 ASN A 53 2.686 -0.348 5.581 1.00 0.00 H new ATOM 0 HD21 ASN A 53 2.178 -4.423 5.853 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.465 -3.618 4.308 1.00 0.00 H new ATOM 657 N LEU A 54 0.485 1.435 3.355 1.00 0.00 N ATOM 658 CA LEU A 54 0.626 2.443 2.311 1.00 0.00 C ATOM 659 C LEU A 54 1.597 3.536 2.722 1.00 0.00 C ATOM 660 O LEU A 54 1.416 4.205 3.739 1.00 0.00 O ATOM 661 CB LEU A 54 -0.736 3.062 1.949 1.00 0.00 C ATOM 662 CG LEU A 54 -1.409 2.518 0.675 1.00 0.00 C ATOM 663 CD1 LEU A 54 -2.183 3.612 -0.039 1.00 0.00 C ATOM 664 CD2 LEU A 54 -0.389 1.921 -0.281 1.00 0.00 C ATOM 0 H LEU A 54 -0.149 1.688 4.112 1.00 0.00 H new ATOM 0 HA LEU A 54 1.027 1.939 1.431 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.416 2.911 2.788 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.605 4.138 1.835 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.098 1.734 0.988 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.649 3.202 -0.935 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.954 4.004 0.624 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.502 4.416 -0.319 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.898 1.547 -1.169 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.330 2.687 -0.571 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.134 1.100 0.210 1.00 0.00 H new ATOM 676 N THR A 55 2.627 3.709 1.906 1.00 0.00 N ATOM 677 CA THR A 55 3.644 4.722 2.157 1.00 0.00 C ATOM 678 C THR A 55 3.292 6.018 1.435 1.00 0.00 C ATOM 679 O THR A 55 3.230 6.057 0.206 1.00 0.00 O ATOM 680 CB THR A 55 5.018 4.223 1.705 1.00 0.00 C ATOM 681 OG1 THR A 55 5.054 2.807 1.680 1.00 0.00 O ATOM 682 CG2 THR A 55 6.148 4.695 2.595 1.00 0.00 C ATOM 0 H THR A 55 2.781 3.159 1.061 1.00 0.00 H new ATOM 0 HA THR A 55 3.679 4.917 3.229 1.00 0.00 H new ATOM 0 HB THR A 55 5.163 4.639 0.708 1.00 0.00 H new ATOM 0 HG1 THR A 55 4.642 2.484 0.851 1.00 0.00 H new ATOM 0 HG21 THR A 55 7.094 4.306 2.219 1.00 0.00 H new ATOM 0 HG22 THR A 55 6.179 5.785 2.597 1.00 0.00 H new ATOM 0 HG23 THR A 55 5.986 4.335 3.611 1.00 0.00 H new ATOM 690 N TRP A 56 3.048 7.073 2.205 1.00 0.00 N ATOM 691 CA TRP A 56 2.687 8.365 1.633 1.00 0.00 C ATOM 692 C TRP A 56 3.261 9.517 2.456 1.00 0.00 C ATOM 693 O TRP A 56 3.734 9.319 3.576 1.00 0.00 O ATOM 694 CB TRP A 56 1.166 8.488 1.547 1.00 0.00 C ATOM 695 CG TRP A 56 0.495 8.447 2.885 1.00 0.00 C ATOM 696 CD1 TRP A 56 0.413 7.378 3.734 1.00 0.00 C ATOM 697 CD2 TRP A 56 -0.187 9.525 3.529 1.00 0.00 C ATOM 698 NE1 TRP A 56 -0.275 7.734 4.872 1.00 0.00 N ATOM 699 CE2 TRP A 56 -0.654 9.046 4.767 1.00 0.00 C ATOM 700 CE3 TRP A 56 -0.447 10.851 3.177 1.00 0.00 C ATOM 701 CZ2 TRP A 56 -1.364 9.848 5.654 1.00 0.00 C ATOM 702 CZ3 TRP A 56 -1.154 11.645 4.058 1.00 0.00 C ATOM 703 CH2 TRP A 56 -1.604 11.143 5.283 1.00 0.00 C ATOM 0 H TRP A 56 3.093 7.059 3.224 1.00 0.00 H new ATOM 0 HA TRP A 56 3.113 8.424 0.631 1.00 0.00 H new ATOM 0 HB2 TRP A 56 0.911 9.423 1.048 1.00 0.00 H new ATOM 0 HB3 TRP A 56 0.777 7.680 0.928 1.00 0.00 H new ATOM 0 HD1 TRP A 56 0.827 6.399 3.540 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -0.470 7.121 5.664 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -0.102 11.248 2.234 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -1.713 9.463 6.601 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -1.363 12.672 3.796 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -2.153 11.791 5.950 1.00 0.00 H new ATOM 714 N SER A 57 3.220 10.719 1.888 1.00 0.00 N ATOM 715 CA SER A 57 3.738 11.910 2.559 1.00 0.00 C ATOM 716 C SER A 57 2.952 13.151 2.148 1.00 0.00 C ATOM 717 O SER A 57 3.270 13.796 1.149 1.00 0.00 O ATOM 718 CB SER A 57 5.218 12.099 2.223 1.00 0.00 C ATOM 719 OG SER A 57 6.008 11.077 2.806 1.00 0.00 O ATOM 0 H SER A 57 2.832 10.895 0.961 1.00 0.00 H new ATOM 0 HA SER A 57 3.627 11.771 3.634 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.352 12.094 1.141 1.00 0.00 H new ATOM 0 HB3 SER A 57 5.554 13.072 2.581 1.00 0.00 H new ATOM 0 HG SER A 57 6.465 11.429 3.598 1.00 0.00 H new ATOM 725 N SER A 58 1.926 13.482 2.925 1.00 0.00 N ATOM 726 CA SER A 58 1.097 14.648 2.641 1.00 0.00 C ATOM 727 C SER A 58 0.997 15.556 3.863 1.00 0.00 C ATOM 728 O SER A 58 0.038 15.477 4.631 1.00 0.00 O ATOM 729 CB SER A 58 -0.299 14.215 2.198 1.00 0.00 C ATOM 730 OG SER A 58 -0.722 14.953 1.068 1.00 0.00 O ATOM 0 H SER A 58 1.649 12.960 3.756 1.00 0.00 H new ATOM 0 HA SER A 58 1.568 15.207 1.832 1.00 0.00 H new ATOM 0 HB2 SER A 58 -0.296 13.151 1.962 1.00 0.00 H new ATOM 0 HB3 SER A 58 -1.005 14.358 3.016 1.00 0.00 H new ATOM 0 HG SER A 58 -1.690 14.852 0.955 1.00 0.00 H new ATOM 736 N PRO A 59 1.994 16.430 4.060 1.00 0.00 N ATOM 737 CA PRO A 59 2.022 17.355 5.198 1.00 0.00 C ATOM 738 C PRO A 59 0.877 18.362 5.151 1.00 0.00 C ATOM 739 O PRO A 59 1.012 19.441 4.573 1.00 0.00 O ATOM 740 CB PRO A 59 3.372 18.074 5.053 1.00 0.00 C ATOM 741 CG PRO A 59 4.169 17.236 4.110 1.00 0.00 C ATOM 742 CD PRO A 59 3.173 16.584 3.197 1.00 0.00 C ATOM 0 HA PRO A 59 1.907 16.831 6.147 1.00 0.00 H new ATOM 0 HB2 PRO A 59 3.239 19.084 4.665 1.00 0.00 H new ATOM 0 HB3 PRO A 59 3.873 18.166 6.016 1.00 0.00 H new ATOM 0 HG2 PRO A 59 4.875 17.846 3.546 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.752 16.489 4.649 1.00 0.00 H new ATOM 0 HD2 PRO A 59 2.958 17.202 2.325 1.00 0.00 H new ATOM 0 HD3 PRO A 59 3.532 15.624 2.827 1.00 0.00 H new ATOM 750 N TYR A 60 -0.251 18.007 5.761 1.00 0.00 N ATOM 751 CA TYR A 60 -1.412 18.889 5.782 1.00 0.00 C ATOM 752 C TYR A 60 -2.154 18.799 7.114 1.00 0.00 C ATOM 753 O TYR A 60 -2.023 19.678 7.965 1.00 0.00 O ATOM 754 CB TYR A 60 -2.358 18.553 4.625 1.00 0.00 C ATOM 755 CG TYR A 60 -2.684 19.742 3.750 1.00 0.00 C ATOM 756 CD1 TYR A 60 -3.030 20.966 4.309 1.00 0.00 C ATOM 757 CD2 TYR A 60 -2.646 19.640 2.366 1.00 0.00 C ATOM 758 CE1 TYR A 60 -3.328 22.055 3.513 1.00 0.00 C ATOM 759 CE2 TYR A 60 -2.943 20.725 1.563 1.00 0.00 C ATOM 760 CZ TYR A 60 -3.283 21.929 2.141 1.00 0.00 C ATOM 761 OH TYR A 60 -3.578 23.012 1.344 1.00 0.00 O ATOM 0 H TYR A 60 -0.385 17.119 6.245 1.00 0.00 H new ATOM 0 HA TYR A 60 -1.056 19.912 5.663 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -1.907 17.773 4.012 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -3.284 18.145 5.030 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -3.067 21.068 5.384 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -2.380 18.698 1.910 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -3.595 23.000 3.963 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -2.909 20.630 0.488 1.00 0.00 H new ATOM 0 HH TYR A 60 -3.499 22.756 0.401 1.00 0.00 H new ATOM 771 N SER A 61 -2.935 17.735 7.289 1.00 0.00 N ATOM 772 CA SER A 61 -3.697 17.543 8.521 1.00 0.00 C ATOM 773 C SER A 61 -4.539 16.272 8.454 1.00 0.00 C ATOM 774 O SER A 61 -4.339 15.342 9.234 1.00 0.00 O ATOM 775 CB SER A 61 -4.599 18.751 8.784 1.00 0.00 C ATOM 776 OG SER A 61 -3.955 19.695 9.622 1.00 0.00 O ATOM 0 H SER A 61 -3.057 16.996 6.597 1.00 0.00 H new ATOM 0 HA SER A 61 -2.986 17.442 9.341 1.00 0.00 H new ATOM 0 HB2 SER A 61 -4.866 19.222 7.838 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.528 18.421 9.249 1.00 0.00 H new ATOM 0 HG SER A 61 -3.212 20.111 9.136 1.00 0.00 H new ATOM 782 N SER A 62 -5.483 16.238 7.521 1.00 0.00 N ATOM 783 CA SER A 62 -6.353 15.079 7.363 1.00 0.00 C ATOM 784 C SER A 62 -7.231 15.206 6.121 1.00 0.00 C ATOM 785 O SER A 62 -8.009 16.152 5.988 1.00 0.00 O ATOM 786 CB SER A 62 -7.227 14.900 8.605 1.00 0.00 C ATOM 787 OG SER A 62 -7.794 13.602 8.647 1.00 0.00 O ATOM 0 H SER A 62 -5.665 16.997 6.864 1.00 0.00 H new ATOM 0 HA SER A 62 -5.719 14.201 7.240 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.630 15.068 9.501 1.00 0.00 H new ATOM 0 HB3 SER A 62 -8.021 15.647 8.606 1.00 0.00 H new ATOM 0 HG SER A 62 -8.347 13.512 9.451 1.00 0.00 H new ATOM 793 N LYS A 63 -7.102 14.239 5.219 1.00 0.00 N ATOM 794 CA LYS A 63 -7.881 14.217 3.984 1.00 0.00 C ATOM 795 C LYS A 63 -8.886 13.072 4.017 1.00 0.00 C ATOM 796 O LYS A 63 -8.849 12.239 4.921 1.00 0.00 O ATOM 797 CB LYS A 63 -6.957 14.066 2.775 1.00 0.00 C ATOM 798 CG LYS A 63 -6.436 15.388 2.238 1.00 0.00 C ATOM 799 CD LYS A 63 -5.265 15.901 3.059 1.00 0.00 C ATOM 800 CE LYS A 63 -5.282 17.417 3.163 1.00 0.00 C ATOM 801 NZ LYS A 63 -6.035 17.881 4.361 1.00 0.00 N ATOM 0 H LYS A 63 -6.460 13.453 5.321 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.421 15.160 3.897 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.111 13.437 3.051 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.494 13.547 1.981 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.127 15.264 1.200 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.238 16.126 2.246 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.301 15.466 4.058 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.329 15.577 2.603 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.259 17.790 3.210 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.733 17.838 2.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.405 18.838 4.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.826 17.232 4.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.401 17.897 5.185 1.00 0.00 H new ATOM 815 N VAL A 64 -9.783 13.025 3.034 1.00 0.00 N ATOM 816 CA VAL A 64 -10.784 11.964 2.977 1.00 0.00 C ATOM 817 C VAL A 64 -10.592 11.128 1.720 1.00 0.00 C ATOM 818 O VAL A 64 -11.190 11.410 0.689 1.00 0.00 O ATOM 819 CB VAL A 64 -12.210 12.547 2.998 1.00 0.00 C ATOM 820 CG1 VAL A 64 -13.250 11.440 2.952 1.00 0.00 C ATOM 821 CG2 VAL A 64 -12.406 13.420 4.228 1.00 0.00 C ATOM 0 H VAL A 64 -9.837 13.703 2.273 1.00 0.00 H new ATOM 0 HA VAL A 64 -10.655 11.332 3.856 1.00 0.00 H new ATOM 0 HB VAL A 64 -12.340 13.166 2.110 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -14.248 11.878 2.968 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -13.123 10.859 2.038 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -13.126 10.788 3.817 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -13.418 13.825 4.229 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -12.253 12.822 5.127 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -11.687 14.239 4.211 1.00 0.00 H new ATOM 831 N ASN A 65 -9.733 10.116 1.803 1.00 0.00 N ATOM 832 CA ASN A 65 -9.440 9.269 0.650 1.00 0.00 C ATOM 833 C ASN A 65 -9.987 7.856 0.807 1.00 0.00 C ATOM 834 O ASN A 65 -10.379 7.439 1.897 1.00 0.00 O ATOM 835 CB ASN A 65 -7.928 9.187 0.435 1.00 0.00 C ATOM 836 CG ASN A 65 -7.322 10.500 -0.018 1.00 0.00 C ATOM 837 OD1 ASN A 65 -7.558 11.561 0.746 1.00 0.00 O flip ATOM 838 ND2 ASN A 65 -6.641 10.556 -1.042 1.00 0.00 N flip ATOM 0 H ASN A 65 -9.229 9.863 2.653 1.00 0.00 H new ATOM 0 HA ASN A 65 -9.930 9.727 -0.209 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -7.451 8.874 1.364 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -7.713 8.419 -0.308 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -6.486 9.715 -1.598 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -6.232 11.443 -1.334 1.00 0.00 H new ATOM 845 N THR A 66 -9.970 7.118 -0.299 1.00 0.00 N ATOM 846 CA THR A 66 -10.419 5.734 -0.318 1.00 0.00 C ATOM 847 C THR A 66 -9.291 4.851 -0.838 1.00 0.00 C ATOM 848 O THR A 66 -8.933 4.914 -2.014 1.00 0.00 O ATOM 849 CB THR A 66 -11.666 5.575 -1.196 1.00 0.00 C ATOM 850 OG1 THR A 66 -12.793 6.169 -0.581 1.00 0.00 O ATOM 851 CG2 THR A 66 -12.019 4.131 -1.491 1.00 0.00 C ATOM 0 H THR A 66 -9.646 7.463 -1.203 1.00 0.00 H new ATOM 0 HA THR A 66 -10.684 5.432 0.695 1.00 0.00 H new ATOM 0 HB THR A 66 -11.416 6.071 -2.134 1.00 0.00 H new ATOM 0 HG1 THR A 66 -13.536 6.201 -1.220 1.00 0.00 H new ATOM 0 HG21 THR A 66 -12.911 4.095 -2.116 1.00 0.00 H new ATOM 0 HG22 THR A 66 -11.190 3.653 -2.013 1.00 0.00 H new ATOM 0 HG23 THR A 66 -12.210 3.605 -0.556 1.00 0.00 H new ATOM 859 N LEU A 67 -8.725 4.044 0.046 1.00 0.00 N ATOM 860 CA LEU A 67 -7.627 3.162 -0.320 1.00 0.00 C ATOM 861 C LEU A 67 -8.146 1.915 -1.030 1.00 0.00 C ATOM 862 O LEU A 67 -9.038 1.228 -0.532 1.00 0.00 O ATOM 863 CB LEU A 67 -6.831 2.796 0.934 1.00 0.00 C ATOM 864 CG LEU A 67 -5.885 1.604 0.803 1.00 0.00 C ATOM 865 CD1 LEU A 67 -4.896 1.825 -0.325 1.00 0.00 C ATOM 866 CD2 LEU A 67 -5.143 1.375 2.110 1.00 0.00 C ATOM 0 H LEU A 67 -9.008 3.981 1.024 1.00 0.00 H new ATOM 0 HA LEU A 67 -6.967 3.679 -1.016 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.248 3.666 1.237 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.535 2.589 1.740 1.00 0.00 H new ATOM 0 HG LEU A 67 -6.479 0.720 0.573 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.232 0.964 -0.401 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.436 1.950 -1.263 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.308 2.720 -0.123 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.472 0.523 2.003 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.564 2.264 2.360 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.861 1.174 2.905 1.00 0.00 H new ATOM 878 N VAL A 68 -7.589 1.641 -2.206 1.00 0.00 N ATOM 879 CA VAL A 68 -7.999 0.490 -3.003 1.00 0.00 C ATOM 880 C VAL A 68 -7.032 -0.677 -2.835 1.00 0.00 C ATOM 881 O VAL A 68 -5.939 -0.672 -3.396 1.00 0.00 O ATOM 882 CB VAL A 68 -8.085 0.860 -4.498 1.00 0.00 C ATOM 883 CG1 VAL A 68 -8.770 -0.241 -5.291 1.00 0.00 C ATOM 884 CG2 VAL A 68 -8.809 2.186 -4.681 1.00 0.00 C ATOM 0 H VAL A 68 -6.850 2.203 -2.629 1.00 0.00 H new ATOM 0 HA VAL A 68 -8.983 0.188 -2.645 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.070 0.968 -4.880 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.818 0.044 -6.342 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.204 -1.167 -5.192 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -9.780 -0.390 -4.909 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.859 2.430 -5.742 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.819 2.108 -4.278 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -8.268 2.972 -4.154 1.00 0.00 H new ATOM 894 N MET A 69 -7.440 -1.678 -2.063 1.00 0.00 N ATOM 895 CA MET A 69 -6.601 -2.848 -1.832 1.00 0.00 C ATOM 896 C MET A 69 -7.425 -4.134 -1.888 1.00 0.00 C ATOM 897 O MET A 69 -8.558 -4.179 -1.410 1.00 0.00 O ATOM 898 CB MET A 69 -5.887 -2.735 -0.481 1.00 0.00 C ATOM 899 CG MET A 69 -5.162 -1.410 -0.282 1.00 0.00 C ATOM 900 SD MET A 69 -3.644 -1.291 -1.252 1.00 0.00 S ATOM 901 CE MET A 69 -2.684 -0.106 -0.305 1.00 0.00 C ATOM 0 H MET A 69 -8.343 -1.703 -1.588 1.00 0.00 H new ATOM 0 HA MET A 69 -5.853 -2.888 -2.624 1.00 0.00 H new ATOM 0 HB2 MET A 69 -6.617 -2.863 0.318 1.00 0.00 H new ATOM 0 HB3 MET A 69 -5.169 -3.550 -0.390 1.00 0.00 H new ATOM 0 HG2 MET A 69 -5.828 -0.592 -0.556 1.00 0.00 H new ATOM 0 HG3 MET A 69 -4.923 -1.287 0.774 1.00 0.00 H new ATOM 0 HE1 MET A 69 -2.567 0.811 -0.882 1.00 0.00 H new ATOM 0 HE2 MET A 69 -3.199 0.116 0.629 1.00 0.00 H new ATOM 0 HE3 MET A 69 -1.702 -0.525 -0.087 1.00 0.00 H new ATOM 911 N ASP A 70 -6.841 -5.174 -2.482 1.00 0.00 N ATOM 912 CA ASP A 70 -7.498 -6.474 -2.618 1.00 0.00 C ATOM 913 C ASP A 70 -8.940 -6.332 -3.100 1.00 0.00 C ATOM 914 O ASP A 70 -9.834 -7.036 -2.631 1.00 0.00 O ATOM 915 CB ASP A 70 -7.455 -7.239 -1.291 1.00 0.00 C ATOM 916 CG ASP A 70 -8.267 -6.570 -0.201 1.00 0.00 C ATOM 917 OD1 ASP A 70 -7.756 -5.612 0.417 1.00 0.00 O ATOM 918 OD2 ASP A 70 -9.412 -7.008 0.039 1.00 0.00 O ATOM 0 H ASP A 70 -5.903 -5.140 -2.881 1.00 0.00 H new ATOM 0 HA ASP A 70 -6.950 -7.039 -3.372 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -7.830 -8.251 -1.448 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -6.420 -7.330 -0.963 1.00 0.00 H new ATOM 923 N GLY A 71 -9.156 -5.425 -4.047 1.00 0.00 N ATOM 924 CA GLY A 71 -10.488 -5.219 -4.585 1.00 0.00 C ATOM 925 C GLY A 71 -11.463 -4.687 -3.552 1.00 0.00 C ATOM 926 O GLY A 71 -12.670 -4.899 -3.665 1.00 0.00 O ATOM 0 H GLY A 71 -8.433 -4.829 -4.451 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -10.434 -4.521 -5.420 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -10.865 -6.162 -4.982 1.00 0.00 H new ATOM 930 N THR A 72 -10.941 -3.999 -2.543 1.00 0.00 N ATOM 931 CA THR A 72 -11.780 -3.441 -1.489 1.00 0.00 C ATOM 932 C THR A 72 -11.654 -1.926 -1.434 1.00 0.00 C ATOM 933 O THR A 72 -10.569 -1.373 -1.613 1.00 0.00 O ATOM 934 CB THR A 72 -11.402 -4.036 -0.133 1.00 0.00 C ATOM 935 OG1 THR A 72 -11.288 -5.444 -0.218 1.00 0.00 O ATOM 936 CG2 THR A 72 -12.403 -3.720 0.958 1.00 0.00 C ATOM 0 H THR A 72 -9.944 -3.815 -2.433 1.00 0.00 H new ATOM 0 HA THR A 72 -12.814 -3.697 -1.718 1.00 0.00 H new ATOM 0 HB THR A 72 -10.448 -3.579 0.128 1.00 0.00 H new ATOM 0 HG1 THR A 72 -10.569 -5.750 0.374 1.00 0.00 H new ATOM 0 HG21 THR A 72 -12.075 -4.172 1.894 1.00 0.00 H new ATOM 0 HG22 THR A 72 -12.477 -2.640 1.082 1.00 0.00 H new ATOM 0 HG23 THR A 72 -13.379 -4.121 0.684 1.00 0.00 H new ATOM 944 N ALA A 73 -12.772 -1.264 -1.176 1.00 0.00 N ATOM 945 CA ALA A 73 -12.798 0.185 -1.085 1.00 0.00 C ATOM 946 C ALA A 73 -12.789 0.628 0.372 1.00 0.00 C ATOM 947 O ALA A 73 -13.810 1.061 0.908 1.00 0.00 O ATOM 948 CB ALA A 73 -14.019 0.731 -1.808 1.00 0.00 C ATOM 0 H ALA A 73 -13.676 -1.711 -1.026 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.904 0.584 -1.565 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -14.030 1.818 -1.734 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.981 0.439 -2.857 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -14.923 0.328 -1.351 1.00 0.00 H new ATOM 954 N LEU A 74 -11.632 0.506 1.015 1.00 0.00 N ATOM 955 CA LEU A 74 -11.497 0.882 2.412 1.00 0.00 C ATOM 956 C LEU A 74 -11.351 2.392 2.559 1.00 0.00 C ATOM 957 O LEU A 74 -10.308 2.966 2.245 1.00 0.00 O ATOM 958 CB LEU A 74 -10.301 0.167 3.047 1.00 0.00 C ATOM 959 CG LEU A 74 -8.922 0.643 2.573 1.00 0.00 C ATOM 960 CD1 LEU A 74 -8.234 1.447 3.665 1.00 0.00 C ATOM 961 CD2 LEU A 74 -8.052 -0.538 2.158 1.00 0.00 C ATOM 0 H LEU A 74 -10.777 0.150 0.589 1.00 0.00 H new ATOM 0 HA LEU A 74 -12.404 0.575 2.933 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -10.357 0.291 4.128 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -10.388 -0.900 2.844 1.00 0.00 H new ATOM 0 HG LEU A 74 -9.065 1.284 1.703 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -7.257 1.777 3.313 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -8.842 2.316 3.915 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -8.109 0.825 4.551 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -7.080 -0.175 1.826 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -7.918 -1.208 3.008 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.535 -1.077 1.343 1.00 0.00 H new ATOM 973 N SER A 75 -12.414 3.029 3.034 1.00 0.00 N ATOM 974 CA SER A 75 -12.425 4.473 3.222 1.00 0.00 C ATOM 975 C SER A 75 -11.775 4.859 4.547 1.00 0.00 C ATOM 976 O SER A 75 -12.084 4.287 5.593 1.00 0.00 O ATOM 977 CB SER A 75 -13.860 4.995 3.171 1.00 0.00 C ATOM 978 OG SER A 75 -13.960 6.282 3.756 1.00 0.00 O ATOM 0 H SER A 75 -13.283 2.565 3.297 1.00 0.00 H new ATOM 0 HA SER A 75 -11.848 4.926 2.416 1.00 0.00 H new ATOM 0 HB2 SER A 75 -14.198 5.036 2.135 1.00 0.00 H new ATOM 0 HB3 SER A 75 -14.520 4.303 3.694 1.00 0.00 H new ATOM 0 HG SER A 75 -14.025 6.958 3.050 1.00 0.00 H new ATOM 984 N TYR A 76 -10.876 5.834 4.492 1.00 0.00 N ATOM 985 CA TYR A 76 -10.180 6.303 5.682 1.00 0.00 C ATOM 986 C TYR A 76 -9.598 7.694 5.451 1.00 0.00 C ATOM 987 O TYR A 76 -9.268 8.061 4.321 1.00 0.00 O ATOM 988 CB TYR A 76 -9.074 5.319 6.078 1.00 0.00 C ATOM 989 CG TYR A 76 -7.873 5.334 5.156 1.00 0.00 C ATOM 990 CD1 TYR A 76 -8.027 5.292 3.776 1.00 0.00 C ATOM 991 CD2 TYR A 76 -6.583 5.388 5.670 1.00 0.00 C ATOM 992 CE1 TYR A 76 -6.932 5.304 2.935 1.00 0.00 C ATOM 993 CE2 TYR A 76 -5.482 5.400 4.835 1.00 0.00 C ATOM 994 CZ TYR A 76 -5.663 5.358 3.469 1.00 0.00 C ATOM 995 OH TYR A 76 -4.571 5.366 2.633 1.00 0.00 O ATOM 0 H TYR A 76 -10.612 6.316 3.633 1.00 0.00 H new ATOM 0 HA TYR A 76 -10.899 6.363 6.499 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -8.744 5.549 7.091 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -9.490 4.312 6.099 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -9.020 5.249 3.354 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -6.439 5.421 6.740 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -7.069 5.271 1.864 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -4.486 5.442 5.250 1.00 0.00 H new ATOM 0 HH TYR A 76 -4.338 6.291 2.408 1.00 0.00 H new ATOM 1005 N ALA A 77 -9.477 8.468 6.523 1.00 0.00 N ATOM 1006 CA ALA A 77 -8.938 9.817 6.426 1.00 0.00 C ATOM 1007 C ALA A 77 -7.421 9.817 6.585 1.00 0.00 C ATOM 1008 O ALA A 77 -6.894 9.416 7.622 1.00 0.00 O ATOM 1009 CB ALA A 77 -9.586 10.722 7.465 1.00 0.00 C ATOM 0 H ALA A 77 -9.744 8.185 7.466 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.169 10.203 5.433 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.173 11.727 7.380 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -10.662 10.757 7.297 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -9.387 10.331 8.463 1.00 0.00 H new ATOM 1015 N PHE A 78 -6.724 10.270 5.547 1.00 0.00 N ATOM 1016 CA PHE A 78 -5.266 10.323 5.567 1.00 0.00 C ATOM 1017 C PHE A 78 -4.767 11.187 6.723 1.00 0.00 C ATOM 1018 O PHE A 78 -4.653 12.406 6.597 1.00 0.00 O ATOM 1019 CB PHE A 78 -4.740 10.869 4.237 1.00 0.00 C ATOM 1020 CG PHE A 78 -4.345 9.796 3.261 1.00 0.00 C ATOM 1021 CD1 PHE A 78 -3.605 8.700 3.678 1.00 0.00 C ATOM 1022 CD2 PHE A 78 -4.713 9.882 1.928 1.00 0.00 C ATOM 1023 CE1 PHE A 78 -3.240 7.712 2.784 1.00 0.00 C ATOM 1024 CE2 PHE A 78 -4.351 8.897 1.029 1.00 0.00 C ATOM 1025 CZ PHE A 78 -3.614 7.810 1.458 1.00 0.00 C ATOM 0 H PHE A 78 -7.146 10.606 4.681 1.00 0.00 H new ATOM 0 HA PHE A 78 -4.890 9.310 5.710 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -5.506 11.497 3.783 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -3.878 11.507 4.431 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -3.311 8.618 4.714 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -5.290 10.729 1.587 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -2.663 6.864 3.122 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -4.644 8.977 -0.007 1.00 0.00 H new ATOM 0 HZ PHE A 78 -3.331 7.038 0.758 1.00 0.00 H new ATOM 1035 N ALA A 79 -4.475 10.544 7.851 1.00 0.00 N ATOM 1036 CA ALA A 79 -3.993 11.247 9.037 1.00 0.00 C ATOM 1037 C ALA A 79 -2.780 12.116 8.725 1.00 0.00 C ATOM 1038 O ALA A 79 -1.897 11.714 7.970 1.00 0.00 O ATOM 1039 CB ALA A 79 -3.646 10.252 10.130 1.00 0.00 C ATOM 0 H ALA A 79 -4.564 9.535 7.969 1.00 0.00 H new ATOM 0 HA ALA A 79 -4.795 11.901 9.380 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.288 10.788 11.009 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.533 9.676 10.393 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.867 9.577 9.774 1.00 0.00 H new ATOM 1045 N GLU A 80 -2.743 13.307 9.323 1.00 0.00 N ATOM 1046 CA GLU A 80 -1.637 14.248 9.125 1.00 0.00 C ATOM 1047 C GLU A 80 -0.297 13.522 9.027 1.00 0.00 C ATOM 1048 O GLU A 80 0.272 13.111 10.039 1.00 0.00 O ATOM 1049 CB GLU A 80 -1.589 15.257 10.275 1.00 0.00 C ATOM 1050 CG GLU A 80 -0.785 16.508 9.956 1.00 0.00 C ATOM 1051 CD GLU A 80 -1.049 17.636 10.935 1.00 0.00 C ATOM 1052 OE1 GLU A 80 -2.173 17.700 11.477 1.00 0.00 O ATOM 1053 OE2 GLU A 80 -0.132 18.454 11.160 1.00 0.00 O ATOM 0 H GLU A 80 -3.471 13.646 9.953 1.00 0.00 H new ATOM 0 HA GLU A 80 -1.813 14.772 8.185 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -2.607 15.546 10.536 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -1.160 14.774 11.153 1.00 0.00 H new ATOM 0 HG2 GLU A 80 0.277 16.265 9.965 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.026 16.843 8.947 1.00 0.00 H new ATOM 1060 N ALA A 81 0.199 13.364 7.804 1.00 0.00 N ATOM 1061 CA ALA A 81 1.468 12.683 7.583 1.00 0.00 C ATOM 1062 C ALA A 81 2.411 13.520 6.728 1.00 0.00 C ATOM 1063 O ALA A 81 2.005 14.494 6.099 1.00 0.00 O ATOM 1064 CB ALA A 81 1.237 11.330 6.931 1.00 0.00 C ATOM 0 H ALA A 81 -0.257 13.697 6.955 1.00 0.00 H new ATOM 0 HA ALA A 81 1.937 12.536 8.556 1.00 0.00 H new ATOM 0 HB1 ALA A 81 2.195 10.834 6.773 1.00 0.00 H new ATOM 0 HB2 ALA A 81 0.613 10.715 7.580 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.737 11.469 5.972 1.00 0.00 H new ATOM 1070 N THR A 82 3.675 13.121 6.718 1.00 0.00 N ATOM 1071 CA THR A 82 4.704 13.808 5.950 1.00 0.00 C ATOM 1072 C THR A 82 5.892 12.882 5.744 1.00 0.00 C ATOM 1073 O THR A 82 6.379 12.704 4.629 1.00 0.00 O ATOM 1074 CB THR A 82 5.144 15.078 6.673 1.00 0.00 C ATOM 1075 OG1 THR A 82 6.361 15.565 6.138 1.00 0.00 O ATOM 1076 CG2 THR A 82 5.338 14.883 8.163 1.00 0.00 C ATOM 0 H THR A 82 4.016 12.314 7.241 1.00 0.00 H new ATOM 0 HA THR A 82 4.296 14.087 4.978 1.00 0.00 H new ATOM 0 HB THR A 82 4.335 15.792 6.520 1.00 0.00 H new ATOM 0 HG1 THR A 82 6.625 16.380 6.614 1.00 0.00 H new ATOM 0 HG21 THR A 82 5.650 15.824 8.615 1.00 0.00 H new ATOM 0 HG22 THR A 82 4.400 14.558 8.613 1.00 0.00 H new ATOM 0 HG23 THR A 82 6.104 14.126 8.334 1.00 0.00 H new ATOM 1084 N VAL A 83 6.331 12.276 6.838 1.00 0.00 N ATOM 1085 CA VAL A 83 7.440 11.337 6.813 1.00 0.00 C ATOM 1086 C VAL A 83 6.938 9.981 6.335 1.00 0.00 C ATOM 1087 O VAL A 83 5.833 9.586 6.689 1.00 0.00 O ATOM 1088 CB VAL A 83 8.058 11.180 8.218 1.00 0.00 C ATOM 1089 CG1 VAL A 83 9.400 10.473 8.148 1.00 0.00 C ATOM 1090 CG2 VAL A 83 8.192 12.535 8.896 1.00 0.00 C ATOM 0 H VAL A 83 5.929 12.422 7.764 1.00 0.00 H new ATOM 0 HA VAL A 83 8.204 11.719 6.136 1.00 0.00 H new ATOM 0 HB VAL A 83 7.388 10.562 8.817 1.00 0.00 H new ATOM 0 HG11 VAL A 83 9.813 10.376 9.152 1.00 0.00 H new ATOM 0 HG12 VAL A 83 9.267 9.483 7.713 1.00 0.00 H new ATOM 0 HG13 VAL A 83 10.085 11.052 7.529 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.630 12.405 9.886 1.00 0.00 H new ATOM 0 HG22 VAL A 83 8.835 13.180 8.297 1.00 0.00 H new ATOM 0 HG23 VAL A 83 7.207 12.993 8.992 1.00 0.00 H new ATOM 1100 N PRO A 84 7.726 9.250 5.521 1.00 0.00 N ATOM 1101 CA PRO A 84 7.329 7.938 5.004 1.00 0.00 C ATOM 1102 C PRO A 84 6.508 7.126 6.007 1.00 0.00 C ATOM 1103 O PRO A 84 7.042 6.288 6.734 1.00 0.00 O ATOM 1104 CB PRO A 84 8.675 7.278 4.735 1.00 0.00 C ATOM 1105 CG PRO A 84 9.558 8.404 4.309 1.00 0.00 C ATOM 1106 CD PRO A 84 9.062 9.640 5.027 1.00 0.00 C ATOM 0 HA PRO A 84 6.681 8.010 4.131 1.00 0.00 H new ATOM 0 HB2 PRO A 84 9.062 6.785 5.627 1.00 0.00 H new ATOM 0 HB3 PRO A 84 8.597 6.517 3.958 1.00 0.00 H new ATOM 0 HG2 PRO A 84 10.598 8.199 4.565 1.00 0.00 H new ATOM 0 HG3 PRO A 84 9.516 8.541 3.228 1.00 0.00 H new ATOM 0 HD2 PRO A 84 9.725 9.920 5.846 1.00 0.00 H new ATOM 0 HD3 PRO A 84 9.006 10.497 4.356 1.00 0.00 H new ATOM 1114 N VAL A 85 5.204 7.394 6.040 1.00 0.00 N ATOM 1115 CA VAL A 85 4.293 6.709 6.949 1.00 0.00 C ATOM 1116 C VAL A 85 3.588 5.559 6.238 1.00 0.00 C ATOM 1117 O VAL A 85 2.982 5.746 5.183 1.00 0.00 O ATOM 1118 CB VAL A 85 3.240 7.689 7.521 1.00 0.00 C ATOM 1119 CG1 VAL A 85 2.203 6.955 8.364 1.00 0.00 C ATOM 1120 CG2 VAL A 85 3.916 8.788 8.334 1.00 0.00 C ATOM 0 H VAL A 85 4.754 8.087 5.442 1.00 0.00 H new ATOM 0 HA VAL A 85 4.885 6.310 7.773 1.00 0.00 H new ATOM 0 HB VAL A 85 2.720 8.151 6.681 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.477 7.670 8.752 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.691 6.216 7.748 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.699 6.454 9.196 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.160 9.467 8.728 1.00 0.00 H new ATOM 0 HG22 VAL A 85 4.468 8.341 9.161 1.00 0.00 H new ATOM 0 HG23 VAL A 85 4.604 9.342 7.695 1.00 0.00 H new ATOM 1130 N THR A 86 3.676 4.368 6.819 1.00 0.00 N ATOM 1131 CA THR A 86 3.051 3.189 6.234 1.00 0.00 C ATOM 1132 C THR A 86 1.730 2.864 6.925 1.00 0.00 C ATOM 1133 O THR A 86 1.709 2.255 7.994 1.00 0.00 O ATOM 1134 CB THR A 86 3.997 1.987 6.320 1.00 0.00 C ATOM 1135 OG1 THR A 86 5.219 2.350 6.937 1.00 0.00 O ATOM 1136 CG2 THR A 86 4.326 1.390 4.969 1.00 0.00 C ATOM 0 H THR A 86 4.173 4.194 7.693 1.00 0.00 H new ATOM 0 HA THR A 86 2.843 3.406 5.186 1.00 0.00 H new ATOM 0 HB THR A 86 3.464 1.242 6.911 1.00 0.00 H new ATOM 0 HG1 THR A 86 5.807 1.568 6.983 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.000 0.543 5.100 1.00 0.00 H new ATOM 0 HG22 THR A 86 3.408 1.053 4.487 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.807 2.144 4.346 1.00 0.00 H new ATOM 1144 N TYR A 87 0.628 3.263 6.298 1.00 0.00 N ATOM 1145 CA TYR A 87 -0.699 3.002 6.842 1.00 0.00 C ATOM 1146 C TYR A 87 -0.943 1.495 6.915 1.00 0.00 C ATOM 1147 O TYR A 87 -1.197 0.850 5.900 1.00 0.00 O ATOM 1148 CB TYR A 87 -1.762 3.694 5.974 1.00 0.00 C ATOM 1149 CG TYR A 87 -3.111 3.009 5.969 1.00 0.00 C ATOM 1150 CD1 TYR A 87 -3.395 2.007 5.052 1.00 0.00 C ATOM 1151 CD2 TYR A 87 -4.097 3.365 6.880 1.00 0.00 C ATOM 1152 CE1 TYR A 87 -4.621 1.376 5.041 1.00 0.00 C ATOM 1153 CE2 TYR A 87 -5.328 2.739 6.877 1.00 0.00 C ATOM 1154 CZ TYR A 87 -5.586 1.746 5.956 1.00 0.00 C ATOM 1155 OH TYR A 87 -6.810 1.118 5.951 1.00 0.00 O ATOM 0 H TYR A 87 0.628 3.769 5.412 1.00 0.00 H new ATOM 0 HA TYR A 87 -0.766 3.407 7.852 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -1.890 4.718 6.326 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -1.395 3.752 4.949 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -2.642 1.716 4.334 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -3.898 4.143 7.602 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -4.825 0.597 4.321 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -6.085 3.026 7.592 1.00 0.00 H new ATOM 0 HH TYR A 87 -7.374 1.495 6.658 1.00 0.00 H new ATOM 1165 N VAL A 88 -0.841 0.937 8.116 1.00 0.00 N ATOM 1166 CA VAL A 88 -1.025 -0.497 8.309 1.00 0.00 C ATOM 1167 C VAL A 88 -2.496 -0.895 8.353 1.00 0.00 C ATOM 1168 O VAL A 88 -3.255 -0.437 9.207 1.00 0.00 O ATOM 1169 CB VAL A 88 -0.346 -0.982 9.605 1.00 0.00 C ATOM 1170 CG1 VAL A 88 -0.393 -2.501 9.701 1.00 0.00 C ATOM 1171 CG2 VAL A 88 1.089 -0.480 9.674 1.00 0.00 C ATOM 0 H VAL A 88 -0.632 1.455 8.970 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.559 -0.974 7.446 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.893 -0.573 10.454 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.092 -2.822 10.623 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.431 -2.834 9.702 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.127 -2.936 8.847 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.554 -0.832 10.595 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.648 -0.858 8.818 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.094 0.610 9.658 1.00 0.00 H new ATOM 1181 N GLN A 89 -2.879 -1.779 7.437 1.00 0.00 N ATOM 1182 CA GLN A 89 -4.242 -2.286 7.367 1.00 0.00 C ATOM 1183 C GLN A 89 -4.193 -3.785 7.121 1.00 0.00 C ATOM 1184 O GLN A 89 -3.749 -4.229 6.068 1.00 0.00 O ATOM 1185 CB GLN A 89 -5.021 -1.586 6.251 1.00 0.00 C ATOM 1186 CG GLN A 89 -6.396 -2.185 5.994 1.00 0.00 C ATOM 1187 CD GLN A 89 -6.581 -2.627 4.555 1.00 0.00 C ATOM 1188 OE1 GLN A 89 -5.972 -2.073 3.640 1.00 0.00 O ATOM 1189 NE2 GLN A 89 -7.426 -3.630 4.349 1.00 0.00 N ATOM 0 H GLN A 89 -2.255 -2.162 6.726 1.00 0.00 H new ATOM 0 HA GLN A 89 -4.755 -2.084 8.308 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -5.136 -0.532 6.506 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -4.438 -1.630 5.331 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -6.545 -3.039 6.654 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -7.161 -1.450 6.246 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -7.909 -4.060 5.138 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -7.592 -3.971 3.402 1.00 0.00 H new ATOM 1198 N THR A 90 -4.618 -4.565 8.101 1.00 0.00 N ATOM 1199 CA THR A 90 -4.572 -6.013 7.973 1.00 0.00 C ATOM 1200 C THR A 90 -5.722 -6.546 7.133 1.00 0.00 C ATOM 1201 O THR A 90 -6.893 -6.399 7.482 1.00 0.00 O ATOM 1202 CB THR A 90 -4.574 -6.668 9.353 1.00 0.00 C ATOM 1203 OG1 THR A 90 -5.544 -6.070 10.198 1.00 0.00 O ATOM 1204 CG2 THR A 90 -3.232 -6.578 10.048 1.00 0.00 C ATOM 0 H THR A 90 -4.995 -4.225 8.986 1.00 0.00 H new ATOM 0 HA THR A 90 -3.646 -6.267 7.458 1.00 0.00 H new ATOM 0 HB THR A 90 -4.809 -7.718 9.178 1.00 0.00 H new ATOM 0 HG1 THR A 90 -6.371 -5.923 9.694 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.294 -7.060 11.024 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.475 -7.078 9.444 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.959 -5.531 10.178 1.00 0.00 H new ATOM 1212 N LYS A 91 -5.360 -7.174 6.021 1.00 0.00 N ATOM 1213 CA LYS A 91 -6.331 -7.752 5.105 1.00 0.00 C ATOM 1214 C LYS A 91 -5.882 -9.146 4.687 1.00 0.00 C ATOM 1215 O LYS A 91 -4.794 -9.319 4.136 1.00 0.00 O ATOM 1216 CB LYS A 91 -6.497 -6.860 3.874 1.00 0.00 C ATOM 1217 CG LYS A 91 -7.421 -7.438 2.814 1.00 0.00 C ATOM 1218 CD LYS A 91 -8.831 -6.885 2.941 1.00 0.00 C ATOM 1219 CE LYS A 91 -9.877 -7.969 2.733 1.00 0.00 C ATOM 1220 NZ LYS A 91 -9.789 -9.032 3.773 1.00 0.00 N ATOM 0 H LYS A 91 -4.390 -7.296 5.731 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.293 -7.826 5.612 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -6.883 -5.891 4.189 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -5.517 -6.684 3.431 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -7.028 -7.210 1.823 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -7.446 -8.524 2.905 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -8.960 -6.438 3.927 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -8.978 -6.091 2.209 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.871 -7.523 2.753 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -9.747 -8.414 1.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -10.729 -9.451 3.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -9.127 -9.770 3.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -9.450 -8.618 4.665 1.00 0.00 H new ATOM 1234 N THR A 92 -6.718 -10.137 4.957 1.00 0.00 N ATOM 1235 CA THR A 92 -6.395 -11.507 4.613 1.00 0.00 C ATOM 1236 C THR A 92 -6.370 -11.696 3.101 1.00 0.00 C ATOM 1237 O THR A 92 -7.406 -11.636 2.439 1.00 0.00 O ATOM 1238 CB THR A 92 -7.405 -12.451 5.255 1.00 0.00 C ATOM 1239 OG1 THR A 92 -7.940 -11.881 6.436 1.00 0.00 O ATOM 1240 CG2 THR A 92 -6.813 -13.792 5.621 1.00 0.00 C ATOM 0 H THR A 92 -7.623 -10.015 5.412 1.00 0.00 H new ATOM 0 HA THR A 92 -5.401 -11.738 4.995 1.00 0.00 H new ATOM 0 HB THR A 92 -8.180 -12.605 4.505 1.00 0.00 H new ATOM 0 HG1 THR A 92 -8.588 -12.500 6.834 1.00 0.00 H new ATOM 0 HG21 THR A 92 -7.582 -14.418 6.074 1.00 0.00 H new ATOM 0 HG22 THR A 92 -6.431 -14.278 4.723 1.00 0.00 H new ATOM 0 HG23 THR A 92 -5.998 -13.649 6.331 1.00 0.00 H new ATOM 1248 N LEU A 93 -5.176 -11.919 2.560 1.00 0.00 N ATOM 1249 CA LEU A 93 -5.012 -12.112 1.124 1.00 0.00 C ATOM 1250 C LEU A 93 -5.040 -13.592 0.766 1.00 0.00 C ATOM 1251 O LEU A 93 -4.532 -14.432 1.509 1.00 0.00 O ATOM 1252 CB LEU A 93 -3.692 -11.487 0.643 1.00 0.00 C ATOM 1253 CG LEU A 93 -3.773 -10.063 0.061 1.00 0.00 C ATOM 1254 CD1 LEU A 93 -2.798 -9.907 -1.095 1.00 0.00 C ATOM 1255 CD2 LEU A 93 -5.187 -9.725 -0.398 1.00 0.00 C ATOM 0 H LEU A 93 -4.309 -11.970 3.094 1.00 0.00 H new ATOM 0 HA LEU A 93 -5.844 -11.617 0.624 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.997 -11.473 1.482 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.262 -12.141 -0.116 1.00 0.00 H new ATOM 0 HG LEU A 93 -3.502 -9.367 0.854 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -2.867 -8.896 -1.495 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -1.783 -10.089 -0.742 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -3.044 -10.625 -1.878 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -5.206 -8.713 -0.803 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -5.498 -10.430 -1.169 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.870 -9.790 0.449 1.00 0.00 H new ATOM 1267 N SER A 94 -5.633 -13.902 -0.382 1.00 0.00 N ATOM 1268 CA SER A 94 -5.724 -15.272 -0.847 1.00 0.00 C ATOM 1269 C SER A 94 -4.901 -15.473 -2.113 1.00 0.00 C ATOM 1270 O SER A 94 -4.526 -14.510 -2.781 1.00 0.00 O ATOM 1271 CB SER A 94 -7.179 -15.662 -1.106 1.00 0.00 C ATOM 1272 OG SER A 94 -7.913 -15.732 0.105 1.00 0.00 O ATOM 0 H SER A 94 -6.058 -13.216 -1.006 1.00 0.00 H new ATOM 0 HA SER A 94 -5.322 -15.915 -0.064 1.00 0.00 H new ATOM 0 HB2 SER A 94 -7.641 -14.934 -1.773 1.00 0.00 H new ATOM 0 HB3 SER A 94 -7.215 -16.626 -1.613 1.00 0.00 H new ATOM 0 HG SER A 94 -8.841 -15.982 -0.089 1.00 0.00 H new ATOM 1278 N ALA A 95 -4.626 -16.731 -2.435 1.00 0.00 N ATOM 1279 CA ALA A 95 -3.848 -17.065 -3.620 1.00 0.00 C ATOM 1280 C ALA A 95 -4.664 -16.845 -4.890 1.00 0.00 C ATOM 1281 O ALA A 95 -5.885 -16.999 -4.889 1.00 0.00 O ATOM 1282 CB ALA A 95 -3.368 -18.506 -3.538 1.00 0.00 C ATOM 0 H ALA A 95 -4.931 -17.538 -1.890 1.00 0.00 H new ATOM 0 HA ALA A 95 -2.981 -16.405 -3.660 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.787 -18.747 -4.428 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -2.745 -18.632 -2.653 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -4.228 -19.173 -3.474 1.00 0.00 H new ATOM 1288 N GLY A 96 -3.981 -16.484 -5.972 1.00 0.00 N ATOM 1289 CA GLY A 96 -4.660 -16.248 -7.233 1.00 0.00 C ATOM 1290 C GLY A 96 -4.328 -14.893 -7.826 1.00 0.00 C ATOM 1291 O GLY A 96 -3.193 -14.647 -8.232 1.00 0.00 O ATOM 0 H GLY A 96 -2.970 -16.351 -5.998 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.385 -17.029 -7.942 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -5.737 -16.321 -7.081 1.00 0.00 H new ATOM 1295 N ASN A 97 -5.322 -14.012 -7.878 1.00 0.00 N ATOM 1296 CA ASN A 97 -5.129 -12.675 -8.428 1.00 0.00 C ATOM 1297 C ASN A 97 -5.909 -11.637 -7.627 1.00 0.00 C ATOM 1298 O ASN A 97 -7.101 -11.804 -7.370 1.00 0.00 O ATOM 1299 CB ASN A 97 -5.565 -12.638 -9.894 1.00 0.00 C ATOM 1300 CG ASN A 97 -5.314 -11.289 -10.539 1.00 0.00 C ATOM 1301 OD1 ASN A 97 -6.206 -10.442 -10.601 1.00 0.00 O ATOM 1302 ND2 ASN A 97 -4.095 -11.081 -11.022 1.00 0.00 N ATOM 0 H ASN A 97 -6.268 -14.200 -7.546 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.068 -12.433 -8.364 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -5.029 -13.408 -10.449 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -6.626 -12.877 -9.961 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -3.867 -10.191 -11.466 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -3.386 -11.811 -10.949 1.00 0.00 H new ATOM 1309 N HIS A 98 -5.226 -10.565 -7.237 1.00 0.00 N ATOM 1310 CA HIS A 98 -5.853 -9.499 -6.466 1.00 0.00 C ATOM 1311 C HIS A 98 -5.486 -8.131 -7.032 1.00 0.00 C ATOM 1312 O HIS A 98 -4.408 -7.953 -7.600 1.00 0.00 O ATOM 1313 CB HIS A 98 -5.429 -9.586 -4.999 1.00 0.00 C ATOM 1314 CG HIS A 98 -6.159 -10.638 -4.224 1.00 0.00 C ATOM 1315 ND1 HIS A 98 -6.824 -10.378 -3.044 1.00 0.00 N ATOM 1316 CD2 HIS A 98 -6.328 -11.961 -4.464 1.00 0.00 C ATOM 1317 CE1 HIS A 98 -7.369 -11.494 -2.592 1.00 0.00 C ATOM 1318 NE2 HIS A 98 -7.083 -12.468 -3.436 1.00 0.00 N ATOM 0 H HIS A 98 -4.239 -10.412 -7.443 1.00 0.00 H new ATOM 0 HA HIS A 98 -6.934 -9.623 -6.533 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -4.359 -9.788 -4.950 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -5.592 -8.618 -4.525 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -5.941 -12.514 -5.307 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -7.949 -11.592 -1.687 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -7.376 -13.440 -3.340 1.00 0.00 H new ATOM 1327 N SER A 99 -6.388 -7.167 -6.873 1.00 0.00 N ATOM 1328 CA SER A 99 -6.157 -5.815 -7.369 1.00 0.00 C ATOM 1329 C SER A 99 -5.829 -4.863 -6.223 1.00 0.00 C ATOM 1330 O SER A 99 -6.522 -4.835 -5.206 1.00 0.00 O ATOM 1331 CB SER A 99 -7.384 -5.312 -8.131 1.00 0.00 C ATOM 1332 OG SER A 99 -8.405 -4.901 -7.239 1.00 0.00 O ATOM 0 H SER A 99 -7.285 -7.297 -6.405 1.00 0.00 H new ATOM 0 HA SER A 99 -5.304 -5.845 -8.047 1.00 0.00 H new ATOM 0 HB2 SER A 99 -7.101 -4.478 -8.773 1.00 0.00 H new ATOM 0 HB3 SER A 99 -7.761 -6.101 -8.781 1.00 0.00 H new ATOM 0 HG SER A 99 -9.178 -4.582 -7.751 1.00 0.00 H new ATOM 1338 N PHE A 100 -4.765 -4.086 -6.398 1.00 0.00 N ATOM 1339 CA PHE A 100 -4.335 -3.130 -5.384 1.00 0.00 C ATOM 1340 C PHE A 100 -4.248 -1.727 -5.978 1.00 0.00 C ATOM 1341 O PHE A 100 -4.310 -1.565 -7.195 1.00 0.00 O ATOM 1342 CB PHE A 100 -2.976 -3.548 -4.821 1.00 0.00 C ATOM 1343 CG PHE A 100 -3.059 -4.700 -3.862 1.00 0.00 C ATOM 1344 CD1 PHE A 100 -3.609 -4.525 -2.606 1.00 0.00 C ATOM 1345 CD2 PHE A 100 -2.591 -5.955 -4.218 1.00 0.00 C ATOM 1346 CE1 PHE A 100 -3.693 -5.577 -1.718 1.00 0.00 C ATOM 1347 CE2 PHE A 100 -2.672 -7.014 -3.332 1.00 0.00 C ATOM 1348 CZ PHE A 100 -3.224 -6.822 -2.080 1.00 0.00 C ATOM 0 H PHE A 100 -4.183 -4.100 -7.236 1.00 0.00 H new ATOM 0 HA PHE A 100 -5.068 -3.119 -4.577 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -2.316 -3.818 -5.646 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -2.522 -2.696 -4.316 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -3.978 -3.552 -2.316 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -2.159 -6.107 -5.196 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -4.126 -5.426 -0.740 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -2.305 -7.989 -3.618 1.00 0.00 H new ATOM 0 HZ PHE A 100 -3.288 -7.647 -1.385 1.00 0.00 H new ATOM 1358 N GLY A 101 -4.105 -0.713 -5.123 1.00 0.00 N ATOM 1359 CA GLY A 101 -4.015 0.645 -5.620 1.00 0.00 C ATOM 1360 C GLY A 101 -4.510 1.685 -4.635 1.00 0.00 C ATOM 1361 O GLY A 101 -4.684 1.409 -3.448 1.00 0.00 O ATOM 0 H GLY A 101 -4.051 -0.809 -4.109 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -2.978 0.862 -5.874 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -4.592 0.725 -6.541 1.00 0.00 H new ATOM 1365 N VAL A 102 -4.744 2.887 -5.145 1.00 0.00 N ATOM 1366 CA VAL A 102 -5.233 3.997 -4.334 1.00 0.00 C ATOM 1367 C VAL A 102 -6.113 4.905 -5.186 1.00 0.00 C ATOM 1368 O VAL A 102 -5.685 5.382 -6.233 1.00 0.00 O ATOM 1369 CB VAL A 102 -4.080 4.826 -3.710 1.00 0.00 C ATOM 1370 CG1 VAL A 102 -4.392 5.157 -2.264 1.00 0.00 C ATOM 1371 CG2 VAL A 102 -2.753 4.089 -3.790 1.00 0.00 C ATOM 0 H VAL A 102 -4.601 3.121 -6.128 1.00 0.00 H new ATOM 0 HA VAL A 102 -5.811 3.572 -3.513 1.00 0.00 H new ATOM 0 HB VAL A 102 -3.992 5.748 -4.285 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -3.574 5.739 -1.839 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -5.314 5.737 -2.214 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -4.513 4.234 -1.697 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -1.969 4.701 -3.343 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -2.828 3.145 -3.251 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -2.509 3.892 -4.834 1.00 0.00 H new ATOM 1381 N ARG A 103 -7.353 5.116 -4.760 1.00 0.00 N ATOM 1382 CA ARG A 103 -8.281 5.940 -5.529 1.00 0.00 C ATOM 1383 C ARG A 103 -8.816 7.122 -4.726 1.00 0.00 C ATOM 1384 O ARG A 103 -9.090 7.013 -3.530 1.00 0.00 O ATOM 1385 CB ARG A 103 -9.447 5.077 -6.033 1.00 0.00 C ATOM 1386 CG ARG A 103 -10.686 5.867 -6.443 1.00 0.00 C ATOM 1387 CD ARG A 103 -10.393 6.826 -7.587 1.00 0.00 C ATOM 1388 NE ARG A 103 -11.051 6.415 -8.825 1.00 0.00 N ATOM 1389 CZ ARG A 103 -11.275 7.232 -9.852 1.00 0.00 C ATOM 1390 NH1 ARG A 103 -10.895 8.502 -9.794 1.00 0.00 N ATOM 1391 NH2 ARG A 103 -11.879 6.776 -10.941 1.00 0.00 N ATOM 0 H ARG A 103 -7.737 4.733 -3.896 1.00 0.00 H new ATOM 0 HA ARG A 103 -7.728 6.350 -6.374 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -9.106 4.491 -6.886 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -9.724 4.370 -5.251 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -11.475 5.176 -6.741 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -11.060 6.427 -5.586 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -10.725 7.828 -7.315 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -9.316 6.880 -7.749 1.00 0.00 H new ATOM 0 HE ARG A 103 -11.357 5.445 -8.907 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -10.428 8.857 -8.959 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -11.069 9.123 -10.584 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -12.171 5.800 -10.991 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -12.051 7.401 -11.728 1.00 0.00 H new ATOM 1405 N VAL A 104 -8.991 8.242 -5.421 1.00 0.00 N ATOM 1406 CA VAL A 104 -9.528 9.456 -4.822 1.00 0.00 C ATOM 1407 C VAL A 104 -10.711 9.943 -5.648 1.00 0.00 C ATOM 1408 O VAL A 104 -10.629 10.009 -6.872 1.00 0.00 O ATOM 1409 CB VAL A 104 -8.472 10.589 -4.713 1.00 0.00 C ATOM 1410 CG1 VAL A 104 -8.310 11.005 -3.269 1.00 0.00 C ATOM 1411 CG2 VAL A 104 -7.133 10.165 -5.310 1.00 0.00 C ATOM 0 H VAL A 104 -8.765 8.332 -6.412 1.00 0.00 H new ATOM 0 HA VAL A 104 -9.840 9.208 -3.808 1.00 0.00 H new ATOM 0 HB VAL A 104 -8.827 11.443 -5.289 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -7.568 11.800 -3.201 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -9.264 11.365 -2.885 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -7.981 10.150 -2.679 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -6.418 10.982 -5.216 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -6.757 9.291 -4.777 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -7.266 9.918 -6.363 1.00 0.00 H new ATOM 1421 N GLY A 105 -11.814 10.262 -4.982 1.00 0.00 N ATOM 1422 CA GLY A 105 -12.995 10.722 -5.692 1.00 0.00 C ATOM 1423 C GLY A 105 -13.824 11.690 -4.876 1.00 0.00 C ATOM 1424 O GLY A 105 -13.416 12.108 -3.793 1.00 0.00 O ATOM 0 H GLY A 105 -11.913 10.211 -3.968 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -12.691 11.203 -6.621 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -13.609 9.863 -5.964 1.00 0.00 H new ATOM 1428 N SER A 106 -14.995 12.048 -5.393 1.00 0.00 N ATOM 1429 CA SER A 106 -15.881 12.972 -4.698 1.00 0.00 C ATOM 1430 C SER A 106 -16.236 12.434 -3.315 1.00 0.00 C ATOM 1431 O SER A 106 -16.276 13.181 -2.338 1.00 0.00 O ATOM 1432 CB SER A 106 -17.154 13.205 -5.515 1.00 0.00 C ATOM 1433 OG SER A 106 -17.108 14.454 -6.184 1.00 0.00 O ATOM 0 H SER A 106 -15.351 11.713 -6.288 1.00 0.00 H new ATOM 0 HA SER A 106 -15.361 13.923 -4.579 1.00 0.00 H new ATOM 0 HB2 SER A 106 -17.275 12.403 -6.243 1.00 0.00 H new ATOM 0 HB3 SER A 106 -18.023 13.172 -4.858 1.00 0.00 H new ATOM 0 HG SER A 106 -17.931 14.579 -6.700 1.00 0.00 H new ATOM 1439 N SER A 107 -16.482 11.130 -3.242 1.00 0.00 N ATOM 1440 CA SER A 107 -16.821 10.484 -1.979 1.00 0.00 C ATOM 1441 C SER A 107 -15.603 10.431 -1.063 1.00 0.00 C ATOM 1442 O SER A 107 -15.729 10.449 0.161 1.00 0.00 O ATOM 1443 CB SER A 107 -17.346 9.070 -2.230 1.00 0.00 C ATOM 1444 OG SER A 107 -18.077 8.590 -1.115 1.00 0.00 O ATOM 0 H SER A 107 -16.453 10.499 -4.043 1.00 0.00 H new ATOM 0 HA SER A 107 -17.601 11.070 -1.492 1.00 0.00 H new ATOM 0 HB2 SER A 107 -17.983 9.067 -3.114 1.00 0.00 H new ATOM 0 HB3 SER A 107 -16.511 8.400 -2.437 1.00 0.00 H new ATOM 0 HG SER A 107 -18.403 7.685 -1.302 1.00 0.00 H new ATOM 1450 N ASP A 108 -14.422 10.374 -1.671 1.00 0.00 N ATOM 1451 CA ASP A 108 -13.176 10.329 -0.927 1.00 0.00 C ATOM 1452 C ASP A 108 -12.074 11.045 -1.697 1.00 0.00 C ATOM 1453 O ASP A 108 -11.326 10.430 -2.456 1.00 0.00 O ATOM 1454 CB ASP A 108 -12.772 8.884 -0.636 1.00 0.00 C ATOM 1455 CG ASP A 108 -13.127 8.464 0.777 1.00 0.00 C ATOM 1456 OD1 ASP A 108 -12.410 8.873 1.715 1.00 0.00 O ATOM 1457 OD2 ASP A 108 -14.119 7.724 0.945 1.00 0.00 O ATOM 0 H ASP A 108 -14.306 10.358 -2.684 1.00 0.00 H new ATOM 0 HA ASP A 108 -13.325 10.840 0.024 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -13.266 8.220 -1.346 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -11.699 8.771 -0.788 1.00 0.00 H new ATOM 1462 N TRP A 109 -11.995 12.354 -1.496 1.00 0.00 N ATOM 1463 CA TRP A 109 -11.004 13.182 -2.168 1.00 0.00 C ATOM 1464 C TRP A 109 -9.680 13.217 -1.408 1.00 0.00 C ATOM 1465 O TRP A 109 -9.638 12.979 -0.202 1.00 0.00 O ATOM 1466 CB TRP A 109 -11.549 14.598 -2.321 1.00 0.00 C ATOM 1467 CG TRP A 109 -11.355 15.450 -1.110 1.00 0.00 C ATOM 1468 CD1 TRP A 109 -12.280 15.757 -0.154 1.00 0.00 C ATOM 1469 CD2 TRP A 109 -10.148 16.103 -0.731 1.00 0.00 C ATOM 1470 NE1 TRP A 109 -11.714 16.569 0.800 1.00 0.00 N ATOM 1471 CE2 TRP A 109 -10.403 16.797 0.465 1.00 0.00 C ATOM 1472 CE3 TRP A 109 -8.873 16.164 -1.294 1.00 0.00 C ATOM 1473 CZ2 TRP A 109 -9.425 17.549 1.110 1.00 0.00 C ATOM 1474 CZ3 TRP A 109 -7.901 16.910 -0.654 1.00 0.00 C ATOM 1475 CH2 TRP A 109 -8.182 17.595 0.537 1.00 0.00 C ATOM 0 H TRP A 109 -12.612 12.868 -0.867 1.00 0.00 H new ATOM 0 HA TRP A 109 -10.809 12.746 -3.148 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -11.062 15.075 -3.172 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -12.613 14.545 -2.551 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -13.304 15.413 -0.148 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -12.190 16.941 1.622 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -8.650 15.639 -2.211 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -9.639 18.076 2.028 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -6.909 16.966 -1.078 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -7.402 18.171 1.012 1.00 0.00 H new ATOM 1486 N GLY A 110 -8.600 13.526 -2.122 1.00 0.00 N ATOM 1487 CA GLY A 110 -7.302 13.592 -1.484 1.00 0.00 C ATOM 1488 C GLY A 110 -6.311 14.490 -2.195 1.00 0.00 C ATOM 1489 O GLY A 110 -6.659 15.218 -3.119 1.00 0.00 O ATOM 0 H GLY A 110 -8.603 13.730 -3.121 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -7.429 13.946 -0.461 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -6.887 12.586 -1.424 1.00 0.00 H new ATOM 1493 N TYR A 111 -5.067 14.427 -1.738 1.00 0.00 N ATOM 1494 CA TYR A 111 -3.974 15.221 -2.289 1.00 0.00 C ATOM 1495 C TYR A 111 -2.685 14.829 -1.580 1.00 0.00 C ATOM 1496 O TYR A 111 -2.245 15.516 -0.660 1.00 0.00 O ATOM 1497 CB TYR A 111 -4.242 16.717 -2.089 1.00 0.00 C ATOM 1498 CG TYR A 111 -4.587 17.461 -3.361 1.00 0.00 C ATOM 1499 CD1 TYR A 111 -3.592 17.866 -4.243 1.00 0.00 C ATOM 1500 CD2 TYR A 111 -5.905 17.766 -3.674 1.00 0.00 C ATOM 1501 CE1 TYR A 111 -3.903 18.553 -5.401 1.00 0.00 C ATOM 1502 CE2 TYR A 111 -6.223 18.451 -4.832 1.00 0.00 C ATOM 1503 CZ TYR A 111 -5.219 18.842 -5.691 1.00 0.00 C ATOM 1504 OH TYR A 111 -5.532 19.527 -6.843 1.00 0.00 O ATOM 0 H TYR A 111 -4.785 13.819 -0.969 1.00 0.00 H new ATOM 0 HA TYR A 111 -3.889 15.030 -3.359 1.00 0.00 H new ATOM 0 HB2 TYR A 111 -5.060 16.836 -1.378 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -3.361 17.176 -1.641 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -2.560 17.640 -4.020 1.00 0.00 H new ATOM 0 HD2 TYR A 111 -6.694 17.463 -3.002 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -3.118 18.862 -6.076 1.00 0.00 H new ATOM 0 HE2 TYR A 111 -7.253 18.679 -5.062 1.00 0.00 H new ATOM 0 HH TYR A 111 -6.503 19.648 -6.898 1.00 0.00 H new ATOM 1514 N MET A 112 -2.102 13.705 -1.985 1.00 0.00 N ATOM 1515 CA MET A 112 -0.886 13.214 -1.347 1.00 0.00 C ATOM 1516 C MET A 112 0.022 12.505 -2.337 1.00 0.00 C ATOM 1517 O MET A 112 -0.271 12.430 -3.531 1.00 0.00 O ATOM 1518 CB MET A 112 -1.248 12.244 -0.218 1.00 0.00 C ATOM 1519 CG MET A 112 -2.059 11.038 -0.685 1.00 0.00 C ATOM 1520 SD MET A 112 -1.039 9.576 -0.985 1.00 0.00 S ATOM 1521 CE MET A 112 -2.244 8.438 -1.679 1.00 0.00 C ATOM 0 H MET A 112 -2.449 13.121 -2.746 1.00 0.00 H new ATOM 0 HA MET A 112 -0.352 14.077 -0.949 1.00 0.00 H new ATOM 0 HB2 MET A 112 -0.331 11.893 0.256 1.00 0.00 H new ATOM 0 HB3 MET A 112 -1.815 12.780 0.543 1.00 0.00 H new ATOM 0 HG2 MET A 112 -2.813 10.801 0.066 1.00 0.00 H new ATOM 0 HG3 MET A 112 -2.591 11.297 -1.600 1.00 0.00 H new ATOM 0 HE1 MET A 112 -1.918 7.412 -1.506 1.00 0.00 H new ATOM 0 HE2 MET A 112 -3.211 8.597 -1.202 1.00 0.00 H new ATOM 0 HE3 MET A 112 -2.335 8.614 -2.751 1.00 0.00 H new ATOM 1531 N ASN A 113 1.121 11.970 -1.820 1.00 0.00 N ATOM 1532 CA ASN A 113 2.075 11.245 -2.638 1.00 0.00 C ATOM 1533 C ASN A 113 1.990 9.753 -2.343 1.00 0.00 C ATOM 1534 O ASN A 113 2.006 9.337 -1.185 1.00 0.00 O ATOM 1535 CB ASN A 113 3.495 11.752 -2.375 1.00 0.00 C ATOM 1536 CG ASN A 113 3.585 13.265 -2.409 1.00 0.00 C ATOM 1537 OD1 ASN A 113 3.109 13.906 -3.346 1.00 0.00 O ATOM 1538 ND2 ASN A 113 4.199 13.844 -1.384 1.00 0.00 N ATOM 0 H ASN A 113 1.371 12.027 -0.833 1.00 0.00 H new ATOM 0 HA ASN A 113 1.833 11.413 -3.687 1.00 0.00 H new ATOM 0 HB2 ASN A 113 3.832 11.393 -1.403 1.00 0.00 H new ATOM 0 HB3 ASN A 113 4.171 11.334 -3.121 1.00 0.00 H new ATOM 0 HD21 ASN A 113 4.291 14.859 -1.352 1.00 0.00 H new ATOM 0 HD22 ASN A 113 4.579 13.273 -0.629 1.00 0.00 H new ATOM 1545 N VAL A 114 1.906 8.955 -3.396 1.00 0.00 N ATOM 1546 CA VAL A 114 1.826 7.508 -3.253 1.00 0.00 C ATOM 1547 C VAL A 114 3.167 6.875 -3.598 1.00 0.00 C ATOM 1548 O VAL A 114 3.402 6.466 -4.736 1.00 0.00 O ATOM 1549 CB VAL A 114 0.723 6.905 -4.154 1.00 0.00 C ATOM 1550 CG1 VAL A 114 0.360 5.506 -3.703 1.00 0.00 C ATOM 1551 CG2 VAL A 114 -0.514 7.797 -4.173 1.00 0.00 C ATOM 0 H VAL A 114 1.891 9.285 -4.361 1.00 0.00 H new ATOM 0 HA VAL A 114 1.571 7.293 -2.215 1.00 0.00 H new ATOM 0 HB VAL A 114 1.118 6.846 -5.168 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -0.418 5.105 -4.353 1.00 0.00 H new ATOM 0 HG12 VAL A 114 1.242 4.867 -3.754 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -0.006 5.538 -2.677 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -1.275 7.351 -4.814 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -0.906 7.898 -3.161 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -0.247 8.781 -4.558 1.00 0.00 H new ATOM 1561 N HIS A 115 4.051 6.811 -2.606 1.00 0.00 N ATOM 1562 CA HIS A 115 5.381 6.244 -2.794 1.00 0.00 C ATOM 1563 C HIS A 115 5.305 4.837 -3.372 1.00 0.00 C ATOM 1564 O HIS A 115 5.723 4.598 -4.505 1.00 0.00 O ATOM 1565 CB HIS A 115 6.141 6.225 -1.468 1.00 0.00 C ATOM 1566 CG HIS A 115 6.738 7.548 -1.102 1.00 0.00 C ATOM 1567 ND1 HIS A 115 6.073 8.745 -1.266 1.00 0.00 N ATOM 1568 CD2 HIS A 115 7.946 7.860 -0.576 1.00 0.00 C ATOM 1569 CE1 HIS A 115 6.847 9.736 -0.858 1.00 0.00 C ATOM 1570 NE2 HIS A 115 7.988 9.226 -0.435 1.00 0.00 N ATOM 0 H HIS A 115 3.868 7.147 -1.660 1.00 0.00 H new ATOM 0 HA HIS A 115 5.916 6.874 -3.504 1.00 0.00 H new ATOM 0 HB2 HIS A 115 5.463 5.909 -0.675 1.00 0.00 H new ATOM 0 HB3 HIS A 115 6.935 5.480 -1.524 1.00 0.00 H new ATOM 0 HD2 HIS A 115 8.730 7.165 -0.316 1.00 0.00 H new ATOM 0 HE1 HIS A 115 6.589 10.785 -0.869 1.00 0.00 H new ATOM 0 HE2 HIS A 115 8.774 9.759 -0.063 1.00 0.00 H new ATOM 1579 N SER A 116 4.770 3.906 -2.590 1.00 0.00 N ATOM 1580 CA SER A 116 4.648 2.527 -3.037 1.00 0.00 C ATOM 1581 C SER A 116 3.682 1.738 -2.160 1.00 0.00 C ATOM 1582 O SER A 116 3.564 1.986 -0.959 1.00 0.00 O ATOM 1583 CB SER A 116 6.019 1.848 -3.041 1.00 0.00 C ATOM 1584 OG SER A 116 6.882 2.435 -2.082 1.00 0.00 O ATOM 0 H SER A 116 4.416 4.081 -1.649 1.00 0.00 H new ATOM 0 HA SER A 116 4.249 2.542 -4.051 1.00 0.00 H new ATOM 0 HB2 SER A 116 5.903 0.785 -2.828 1.00 0.00 H new ATOM 0 HB3 SER A 116 6.465 1.927 -4.033 1.00 0.00 H new ATOM 0 HG SER A 116 7.751 1.982 -2.103 1.00 0.00 H new ATOM 1590 N LEU A 117 3.004 0.779 -2.777 1.00 0.00 N ATOM 1591 CA LEU A 117 2.052 -0.072 -2.077 1.00 0.00 C ATOM 1592 C LEU A 117 2.785 -1.240 -1.421 1.00 0.00 C ATOM 1593 O LEU A 117 3.064 -2.250 -2.066 1.00 0.00 O ATOM 1594 CB LEU A 117 1.004 -0.591 -3.064 1.00 0.00 C ATOM 1595 CG LEU A 117 -0.431 -0.674 -2.534 1.00 0.00 C ATOM 1596 CD1 LEU A 117 -1.419 -0.380 -3.653 1.00 0.00 C ATOM 1597 CD2 LEU A 117 -0.688 -2.052 -1.927 1.00 0.00 C ATOM 0 H LEU A 117 3.098 0.570 -3.771 1.00 0.00 H new ATOM 0 HA LEU A 117 1.552 0.507 -1.301 1.00 0.00 H new ATOM 0 HB2 LEU A 117 1.010 0.054 -3.943 1.00 0.00 H new ATOM 0 HB3 LEU A 117 1.306 -1.584 -3.396 1.00 0.00 H new ATOM 0 HG LEU A 117 -0.567 0.074 -1.753 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -2.436 -0.442 -3.266 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -1.239 0.622 -4.043 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -1.290 -1.109 -4.453 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -1.711 -2.100 -1.553 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -0.544 -2.818 -2.689 1.00 0.00 H new ATOM 0 HD23 LEU A 117 0.007 -2.223 -1.105 1.00 0.00 H new ATOM 1609 N LYS A 118 3.115 -1.088 -0.144 1.00 0.00 N ATOM 1610 CA LYS A 118 3.837 -2.126 0.582 1.00 0.00 C ATOM 1611 C LYS A 118 2.906 -3.243 1.044 1.00 0.00 C ATOM 1612 O LYS A 118 1.832 -2.989 1.590 1.00 0.00 O ATOM 1613 CB LYS A 118 4.570 -1.525 1.782 1.00 0.00 C ATOM 1614 CG LYS A 118 5.996 -2.031 1.938 1.00 0.00 C ATOM 1615 CD LYS A 118 6.867 -1.026 2.674 1.00 0.00 C ATOM 1616 CE LYS A 118 7.753 -1.705 3.706 1.00 0.00 C ATOM 1617 NZ LYS A 118 8.919 -2.385 3.076 1.00 0.00 N ATOM 0 H LYS A 118 2.895 -0.259 0.409 1.00 0.00 H new ATOM 0 HA LYS A 118 4.565 -2.560 -0.104 1.00 0.00 H new ATOM 0 HB2 LYS A 118 4.587 -0.440 1.681 1.00 0.00 H new ATOM 0 HB3 LYS A 118 4.011 -1.752 2.690 1.00 0.00 H new ATOM 0 HG2 LYS A 118 5.990 -2.976 2.482 1.00 0.00 H new ATOM 0 HG3 LYS A 118 6.422 -2.231 0.955 1.00 0.00 H new ATOM 0 HD2 LYS A 118 7.488 -0.488 1.958 1.00 0.00 H new ATOM 0 HD3 LYS A 118 6.235 -0.287 3.166 1.00 0.00 H new ATOM 0 HE2 LYS A 118 8.108 -0.965 4.423 1.00 0.00 H new ATOM 0 HE3 LYS A 118 7.166 -2.434 4.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 9.498 -2.835 3.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 8.581 -3.109 2.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 9.494 -1.686 2.564 1.00 0.00 H new ATOM 1631 N LEU A 119 3.337 -4.482 0.827 1.00 0.00 N ATOM 1632 CA LEU A 119 2.562 -5.652 1.225 1.00 0.00 C ATOM 1633 C LEU A 119 3.398 -6.561 2.115 1.00 0.00 C ATOM 1634 O LEU A 119 4.321 -7.220 1.641 1.00 0.00 O ATOM 1635 CB LEU A 119 2.093 -6.426 -0.010 1.00 0.00 C ATOM 1636 CG LEU A 119 0.573 -6.597 -0.129 1.00 0.00 C ATOM 1637 CD1 LEU A 119 0.065 -5.988 -1.427 1.00 0.00 C ATOM 1638 CD2 LEU A 119 0.183 -8.067 -0.042 1.00 0.00 C ATOM 0 H LEU A 119 4.224 -4.702 0.375 1.00 0.00 H new ATOM 0 HA LEU A 119 1.689 -5.313 1.783 1.00 0.00 H new ATOM 0 HB2 LEU A 119 2.457 -5.914 -0.901 1.00 0.00 H new ATOM 0 HB3 LEU A 119 2.555 -7.413 0.001 1.00 0.00 H new ATOM 0 HG LEU A 119 0.108 -6.071 0.705 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -1.015 -6.120 -1.492 1.00 0.00 H new ATOM 0 HD12 LEU A 119 0.303 -4.924 -1.447 1.00 0.00 H new ATOM 0 HD13 LEU A 119 0.543 -6.483 -2.273 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -0.899 -8.162 -0.129 1.00 0.00 H new ATOM 0 HD22 LEU A 119 0.662 -8.619 -0.851 1.00 0.00 H new ATOM 0 HD23 LEU A 119 0.507 -8.473 0.916 1.00 0.00 H new ATOM 1650 N GLU A 120 3.075 -6.589 3.404 1.00 0.00 N ATOM 1651 CA GLU A 120 3.806 -7.416 4.357 1.00 0.00 C ATOM 1652 C GLU A 120 3.061 -8.715 4.646 1.00 0.00 C ATOM 1653 O GLU A 120 1.836 -8.777 4.542 1.00 0.00 O ATOM 1654 CB GLU A 120 4.035 -6.646 5.658 1.00 0.00 C ATOM 1655 CG GLU A 120 5.379 -6.935 6.308 1.00 0.00 C ATOM 1656 CD GLU A 120 5.936 -5.737 7.053 1.00 0.00 C ATOM 1657 OE1 GLU A 120 5.516 -4.601 6.749 1.00 0.00 O ATOM 1658 OE2 GLU A 120 6.793 -5.936 7.940 1.00 0.00 O ATOM 0 H GLU A 120 2.312 -6.049 3.812 1.00 0.00 H new ATOM 0 HA GLU A 120 4.769 -7.667 3.913 1.00 0.00 H new ATOM 0 HB2 GLU A 120 3.961 -5.577 5.456 1.00 0.00 H new ATOM 0 HB3 GLU A 120 3.240 -6.893 6.361 1.00 0.00 H new ATOM 0 HG2 GLU A 120 5.272 -7.771 7.000 1.00 0.00 H new ATOM 0 HG3 GLU A 120 6.090 -7.245 5.542 1.00 0.00 H new ATOM 1665 N LEU A 121 3.811 -9.749 5.014 1.00 0.00 N ATOM 1666 CA LEU A 121 3.226 -11.048 5.325 1.00 0.00 C ATOM 1667 C LEU A 121 2.814 -11.113 6.783 1.00 0.00 C ATOM 1668 O LEU A 121 3.596 -11.499 7.652 1.00 0.00 O ATOM 1669 CB LEU A 121 4.216 -12.173 5.001 1.00 0.00 C ATOM 1670 CG LEU A 121 3.617 -13.389 4.290 1.00 0.00 C ATOM 1671 CD1 LEU A 121 2.435 -13.939 5.073 1.00 0.00 C ATOM 1672 CD2 LEU A 121 3.196 -13.025 2.874 1.00 0.00 C ATOM 0 H LEU A 121 4.826 -9.712 5.104 1.00 0.00 H new ATOM 0 HA LEU A 121 2.336 -11.179 4.709 1.00 0.00 H new ATOM 0 HB2 LEU A 121 5.013 -11.765 4.379 1.00 0.00 H new ATOM 0 HB3 LEU A 121 4.677 -12.507 5.930 1.00 0.00 H new ATOM 0 HG LEU A 121 4.381 -14.164 4.234 1.00 0.00 H new ATOM 0 HD11 LEU A 121 2.023 -14.803 4.551 1.00 0.00 H new ATOM 0 HD12 LEU A 121 2.765 -14.239 6.067 1.00 0.00 H new ATOM 0 HD13 LEU A 121 1.668 -13.170 5.162 1.00 0.00 H new ATOM 0 HD21 LEU A 121 2.772 -13.902 2.384 1.00 0.00 H new ATOM 0 HD22 LEU A 121 2.449 -12.232 2.909 1.00 0.00 H new ATOM 0 HD23 LEU A 121 4.065 -12.680 2.313 1.00 0.00 H new