USER MOD reduce.3.24.130724 H: found=0, std=0, add=714, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 712 hydrogens (62 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 79 TYR OH : rot -173:sc= -2.47! USER MOD Set 1.2: A 80 THR OG1 : rot 99:sc= -0.95 USER MOD Set 2.1: A 16 TYR OH : rot -15:sc= -0.374 USER MOD Set 2.2: A 68 SER OG : rot 3:sc= 1.23! USER MOD Set 2.3: A 72 LYS NZ :NH3+ -129:sc= 1.55 (180deg=-0.0201) USER MOD Set 3.1: A 62 ASN : amide:sc= -1.56 K(o=-2.3,f=-4.3!) USER MOD Set 3.2: A 64 ASN :FLIP amide:sc= -0.745 F(o=-3.2,f=-2.3) USER MOD Set 4.1: A 40 SER OG : rot -72:sc= 0.119 USER MOD Set 4.2: A 41 SER OG : rot 180:sc= 0.351 USER MOD Set 5.1: A 8 SER OG : rot 140:sc= 0.892 USER MOD Set 5.2: A 9 LYS NZ :NH3+ -117:sc= 1.24 (180deg=0) USER MOD Set 6.1: A 1 LEU N :NH3+ 158:sc= -1.93! (180deg=-4.41!) USER MOD Set 6.2: A 92 COA O2B : rot -142:sc= 3.01 USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 MET CE :methyl -141:sc= -5.63! (180deg=-7.71!) USER MOD Single : A 11 LYS NZ :NH3+ -123:sc= 0.506 (180deg=-1.67!) USER MOD Single : A 15 THR OG1 : rot -84:sc= -3.85! USER MOD Single : A 18 GLN : amide:sc= -1.17 K(o=-1.2,f=-4.3!) USER MOD Single : A 24 SER OG : rot 95:sc= 0.148 USER MOD Single : A 29 ASN : amide:sc= -7.02! C(o=-7!,f=-7.1!) USER MOD Single : A 35 HIS : no HE2:sc= -0.556 K(o=-0.56,f=-7.5!) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 37 GLN :FLIP amide:sc= -0.0977 F(o=-0.94,f=-0.098) USER MOD Single : A 39 GLN :FLIP amide:sc= -1.62 F(o=-2.7!,f=-1.6) USER MOD Single : A 45 GLN : amide:sc= 1.15 K(o=1.1,f=-0.07) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -1.17 K(o=-1.2,f=-4.9!) USER MOD Single : A 52 LYS NZ :NH3+ -152:sc= 0.119 (180deg=-3.28!) USER MOD Single : A 59 HIS : no HE2:sc= 0.82 K(o=0.82,f=-2.8!) USER MOD Single : A 60 ASN : amide:sc= 0.898 K(o=0.9,f=0) USER MOD Single : A 65 ASN : amide:sc= -13.4! C(o=-13!,f=-18!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= 0.452 K(o=0.45,f=-5.8!) USER MOD Single : A 76 ASN : amide:sc= 0.522 K(o=0.52,f=-0.021) USER MOD Single : A 82 SER OG : rot 81:sc= 1.81 USER MOD Single : A 88 SER OG : rot -22:sc= 0.965 USER MOD Single : A 91 TYR OH : rot 165:sc= 0 USER MOD Single : A 92 COA OAP : rot -12:sc= 1.15 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -10.591 8.238 8.280 1.00 0.00 N ATOM 2 CA LEU A 1 -10.885 6.931 7.617 1.00 0.00 C ATOM 3 C LEU A 1 -10.419 6.911 6.128 1.00 0.00 C ATOM 4 O LEU A 1 -11.155 6.629 5.205 1.00 0.00 O ATOM 5 CB LEU A 1 -12.441 6.656 7.736 1.00 0.00 C ATOM 6 CG LEU A 1 -13.370 7.894 7.468 1.00 0.00 C ATOM 7 CD1 LEU A 1 -13.080 8.593 6.130 1.00 0.00 C ATOM 8 CD2 LEU A 1 -14.820 7.374 7.380 1.00 0.00 C ATOM 0 H1 LEU A 1 -11.217 8.359 9.102 1.00 0.00 H new ATOM 0 H2 LEU A 1 -9.600 8.253 8.594 1.00 0.00 H new ATOM 0 H3 LEU A 1 -10.752 9.013 7.606 1.00 0.00 H new ATOM 0 HA LEU A 1 -10.326 6.140 8.118 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -12.707 5.866 7.034 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -12.650 6.277 8.737 1.00 0.00 H new ATOM 0 HG LEU A 1 -13.200 8.608 8.274 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -13.756 9.439 6.007 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -12.049 8.948 6.121 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -13.228 7.888 5.312 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -15.495 8.209 7.194 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -14.900 6.654 6.565 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -15.091 6.891 8.319 1.00 0.00 H new ATOM 22 N ASN A 2 -9.156 7.216 5.969 1.00 0.00 N ATOM 23 CA ASN A 2 -8.460 7.274 4.639 1.00 0.00 C ATOM 24 C ASN A 2 -7.232 6.322 4.518 1.00 0.00 C ATOM 25 O ASN A 2 -6.827 6.013 3.419 1.00 0.00 O ATOM 26 CB ASN A 2 -8.023 8.734 4.400 1.00 0.00 C ATOM 27 CG ASN A 2 -9.217 9.649 4.198 1.00 0.00 C ATOM 28 OD1 ASN A 2 -9.920 9.538 3.224 1.00 0.00 O ATOM 29 ND2 ASN A 2 -9.480 10.560 5.076 1.00 0.00 N ATOM 0 H ASN A 2 -8.543 7.440 6.752 1.00 0.00 H new ATOM 0 HA ASN A 2 -9.165 6.930 3.882 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -7.437 9.083 5.250 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -7.375 8.782 3.525 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -10.279 11.181 4.944 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -8.889 10.658 5.902 1.00 0.00 H new ATOM 36 N CYS A 3 -6.667 5.895 5.632 1.00 0.00 N ATOM 37 CA CYS A 3 -5.471 4.964 5.615 1.00 0.00 C ATOM 38 C CYS A 3 -5.206 4.258 6.996 1.00 0.00 C ATOM 39 O CYS A 3 -6.153 3.767 7.582 1.00 0.00 O ATOM 40 CB CYS A 3 -4.290 5.812 5.178 1.00 0.00 C ATOM 41 SG CYS A 3 -2.739 4.961 4.843 1.00 0.00 S ATOM 0 H CYS A 3 -6.985 6.153 6.566 1.00 0.00 H new ATOM 0 HA CYS A 3 -5.651 4.137 4.928 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -4.579 6.353 4.277 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -4.105 6.557 5.952 1.00 0.00 H new ATOM 46 N GLY A 4 -3.957 4.221 7.437 1.00 0.00 N ATOM 47 CA GLY A 4 -3.561 3.579 8.761 1.00 0.00 C ATOM 48 C GLY A 4 -2.877 2.208 8.638 1.00 0.00 C ATOM 49 O GLY A 4 -1.659 2.083 8.585 1.00 0.00 O ATOM 0 H GLY A 4 -3.171 4.619 6.923 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.891 4.257 9.290 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.454 3.469 9.376 1.00 0.00 H new ATOM 53 N GLN A 5 -3.737 1.208 8.598 1.00 0.00 N ATOM 54 CA GLN A 5 -3.316 -0.244 8.466 1.00 0.00 C ATOM 55 C GLN A 5 -2.124 -0.353 7.500 1.00 0.00 C ATOM 56 O GLN A 5 -1.159 -1.089 7.628 1.00 0.00 O ATOM 57 CB GLN A 5 -4.434 -1.119 7.849 1.00 0.00 C ATOM 58 CG GLN A 5 -5.742 -1.223 8.674 1.00 0.00 C ATOM 59 CD GLN A 5 -6.558 -2.363 8.060 1.00 0.00 C ATOM 60 OE1 GLN A 5 -7.265 -2.231 7.084 1.00 0.00 O ATOM 61 NE2 GLN A 5 -6.466 -3.526 8.615 1.00 0.00 N ATOM 0 H GLN A 5 -4.747 1.338 8.653 1.00 0.00 H new ATOM 0 HA GLN A 5 -3.075 -0.587 9.472 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -4.679 -0.721 6.864 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -4.041 -2.124 7.698 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -5.523 -1.424 9.723 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -6.298 -0.286 8.638 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -5.875 -3.654 9.437 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -6.984 -4.317 8.231 1.00 0.00 H new ATOM 70 N VAL A 6 -2.341 0.471 6.526 1.00 0.00 N ATOM 71 CA VAL A 6 -1.444 0.660 5.392 1.00 0.00 C ATOM 72 C VAL A 6 -0.039 0.878 5.887 1.00 0.00 C ATOM 73 O VAL A 6 0.760 -0.029 5.819 1.00 0.00 O ATOM 74 CB VAL A 6 -1.900 1.864 4.601 1.00 0.00 C ATOM 75 CG1 VAL A 6 -1.048 1.831 3.376 1.00 0.00 C ATOM 76 CG2 VAL A 6 -3.413 1.886 4.312 1.00 0.00 C ATOM 0 H VAL A 6 -3.173 1.060 6.481 1.00 0.00 H new ATOM 0 HA VAL A 6 -1.462 -0.225 4.756 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.774 2.791 5.160 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -1.305 2.672 2.732 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.002 1.899 3.661 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.218 0.898 2.839 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.661 2.781 3.741 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -3.687 1.001 3.737 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.963 1.892 5.253 1.00 0.00 H new ATOM 86 N ASP A 7 0.255 2.055 6.368 1.00 0.00 N ATOM 87 CA ASP A 7 1.610 2.347 6.884 1.00 0.00 C ATOM 88 C ASP A 7 2.099 1.197 7.742 1.00 0.00 C ATOM 89 O ASP A 7 3.133 0.613 7.479 1.00 0.00 O ATOM 90 CB ASP A 7 1.478 3.609 7.668 1.00 0.00 C ATOM 91 CG ASP A 7 2.691 3.889 8.588 1.00 0.00 C ATOM 92 OD1 ASP A 7 2.975 3.097 9.484 1.00 0.00 O ATOM 93 OD2 ASP A 7 3.328 4.906 8.368 1.00 0.00 O ATOM 0 H ASP A 7 -0.401 2.834 6.423 1.00 0.00 H new ATOM 0 HA ASP A 7 2.343 2.465 6.086 1.00 0.00 H new ATOM 0 HB2 ASP A 7 1.353 4.445 6.979 1.00 0.00 H new ATOM 0 HB3 ASP A 7 0.574 3.558 8.275 1.00 0.00 H new ATOM 98 N SER A 8 1.253 0.956 8.712 1.00 0.00 N ATOM 99 CA SER A 8 1.530 -0.130 9.714 1.00 0.00 C ATOM 100 C SER A 8 2.239 -1.354 9.104 1.00 0.00 C ATOM 101 O SER A 8 3.269 -1.762 9.608 1.00 0.00 O ATOM 102 CB SER A 8 0.197 -0.530 10.373 1.00 0.00 C ATOM 103 OG SER A 8 0.596 -1.343 11.483 1.00 0.00 O ATOM 0 H SER A 8 0.380 1.463 8.857 1.00 0.00 H new ATOM 0 HA SER A 8 2.223 0.260 10.460 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.366 0.344 10.699 1.00 0.00 H new ATOM 0 HB3 SER A 8 -0.441 -1.081 9.682 1.00 0.00 H new ATOM 0 HG SER A 8 0.035 -1.136 12.259 1.00 0.00 H new ATOM 109 N LYS A 9 1.678 -1.905 8.051 1.00 0.00 N ATOM 110 CA LYS A 9 2.322 -3.104 7.398 1.00 0.00 C ATOM 111 C LYS A 9 3.082 -2.850 6.065 1.00 0.00 C ATOM 112 O LYS A 9 3.961 -3.606 5.722 1.00 0.00 O ATOM 113 CB LYS A 9 1.258 -4.174 7.096 1.00 0.00 C ATOM 114 CG LYS A 9 0.360 -4.619 8.276 1.00 0.00 C ATOM 115 CD LYS A 9 0.760 -4.036 9.649 1.00 0.00 C ATOM 116 CE LYS A 9 0.097 -4.827 10.740 1.00 0.00 C ATOM 117 NZ LYS A 9 0.164 -3.993 11.978 1.00 0.00 N ATOM 0 H LYS A 9 0.813 -1.585 7.616 1.00 0.00 H new ATOM 0 HA LYS A 9 3.066 -3.414 8.132 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.613 -3.797 6.302 1.00 0.00 H new ATOM 0 HB3 LYS A 9 1.765 -5.056 6.704 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.669 -4.331 8.060 1.00 0.00 H new ATOM 0 HG3 LYS A 9 0.380 -5.707 8.339 1.00 0.00 H new ATOM 0 HD2 LYS A 9 1.843 -4.068 9.768 1.00 0.00 H new ATOM 0 HD3 LYS A 9 0.463 -2.989 9.712 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -0.938 -5.052 10.481 1.00 0.00 H new ATOM 0 HE3 LYS A 9 0.603 -5.781 10.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 0.736 -4.482 12.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 0.599 -3.075 11.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -0.797 -3.841 12.346 1.00 0.00 H new ATOM 131 N MET A 10 2.763 -1.826 5.326 1.00 0.00 N ATOM 132 CA MET A 10 3.411 -1.490 4.029 1.00 0.00 C ATOM 133 C MET A 10 4.327 -0.253 4.075 1.00 0.00 C ATOM 134 O MET A 10 4.735 0.256 3.043 1.00 0.00 O ATOM 135 CB MET A 10 2.315 -1.243 3.022 1.00 0.00 C ATOM 136 CG MET A 10 1.203 -2.281 3.049 1.00 0.00 C ATOM 137 SD MET A 10 0.011 -2.070 1.707 1.00 0.00 S ATOM 138 CE MET A 10 1.118 -2.668 0.405 1.00 0.00 C ATOM 0 H MET A 10 2.030 -1.167 5.589 1.00 0.00 H new ATOM 0 HA MET A 10 4.053 -2.330 3.764 1.00 0.00 H new ATOM 0 HB2 MET A 10 1.884 -0.259 3.204 1.00 0.00 H new ATOM 0 HB3 MET A 10 2.752 -1.220 2.024 1.00 0.00 H new ATOM 0 HG2 MET A 10 1.641 -3.277 2.986 1.00 0.00 H new ATOM 0 HG3 MET A 10 0.681 -2.222 4.004 1.00 0.00 H new ATOM 0 HE1 MET A 10 0.980 -2.067 -0.494 1.00 0.00 H new ATOM 0 HE2 MET A 10 2.152 -2.587 0.741 1.00 0.00 H new ATOM 0 HE3 MET A 10 0.889 -3.710 0.183 1.00 0.00 H new ATOM 148 N LYS A 11 4.623 0.233 5.245 1.00 0.00 N ATOM 149 CA LYS A 11 5.520 1.415 5.333 1.00 0.00 C ATOM 150 C LYS A 11 6.805 1.148 4.494 1.00 0.00 C ATOM 151 O LYS A 11 7.102 1.906 3.577 1.00 0.00 O ATOM 152 CB LYS A 11 5.808 1.633 6.814 1.00 0.00 C ATOM 153 CG LYS A 11 6.894 2.695 6.916 1.00 0.00 C ATOM 154 CD LYS A 11 6.325 3.798 7.853 1.00 0.00 C ATOM 155 CE LYS A 11 6.158 3.284 9.321 1.00 0.00 C ATOM 156 NZ LYS A 11 5.279 4.234 10.075 1.00 0.00 N ATOM 0 H LYS A 11 4.287 -0.132 6.136 1.00 0.00 H new ATOM 0 HA LYS A 11 5.070 2.319 4.923 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.907 1.954 7.337 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.134 0.704 7.282 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.814 2.275 7.321 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.135 3.103 5.934 1.00 0.00 H new ATOM 0 HD2 LYS A 11 6.990 4.661 7.844 1.00 0.00 H new ATOM 0 HD3 LYS A 11 5.360 4.135 7.474 1.00 0.00 H new ATOM 0 HE2 LYS A 11 5.721 2.285 9.323 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.131 3.207 9.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 5.785 4.584 10.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 5.028 5.036 9.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 4.412 3.743 10.374 1.00 0.00 H new ATOM 170 N PRO A 12 7.521 0.086 4.808 1.00 0.00 N ATOM 171 CA PRO A 12 8.649 -0.359 3.965 1.00 0.00 C ATOM 172 C PRO A 12 8.315 -0.418 2.448 1.00 0.00 C ATOM 173 O PRO A 12 9.243 -0.377 1.662 1.00 0.00 O ATOM 174 CB PRO A 12 9.049 -1.695 4.633 1.00 0.00 C ATOM 175 CG PRO A 12 7.733 -2.129 5.341 1.00 0.00 C ATOM 176 CD PRO A 12 7.324 -0.837 5.972 1.00 0.00 C ATOM 0 HA PRO A 12 9.486 0.339 3.934 1.00 0.00 H new ATOM 0 HB2 PRO A 12 9.377 -2.432 3.900 1.00 0.00 H new ATOM 0 HB3 PRO A 12 9.867 -1.565 5.342 1.00 0.00 H new ATOM 0 HG2 PRO A 12 6.988 -2.501 4.638 1.00 0.00 H new ATOM 0 HG3 PRO A 12 7.898 -2.916 6.077 1.00 0.00 H new ATOM 0 HD2 PRO A 12 6.292 -0.852 6.324 1.00 0.00 H new ATOM 0 HD3 PRO A 12 7.948 -0.573 6.826 1.00 0.00 H new ATOM 184 N CYS A 13 7.066 -0.491 2.008 1.00 0.00 N ATOM 185 CA CYS A 13 6.912 -0.538 0.515 1.00 0.00 C ATOM 186 C CYS A 13 6.830 0.910 0.072 1.00 0.00 C ATOM 187 O CYS A 13 7.486 1.285 -0.882 1.00 0.00 O ATOM 188 CB CYS A 13 5.662 -1.305 0.139 1.00 0.00 C ATOM 189 SG CYS A 13 5.757 -3.089 0.393 1.00 0.00 S ATOM 0 H CYS A 13 6.215 -0.518 2.569 1.00 0.00 H new ATOM 0 HA CYS A 13 7.743 -1.051 0.030 1.00 0.00 H new ATOM 0 HB2 CYS A 13 4.826 -0.915 0.719 1.00 0.00 H new ATOM 0 HB3 CYS A 13 5.438 -1.114 -0.911 1.00 0.00 H new ATOM 194 N LEU A 14 6.064 1.738 0.731 1.00 0.00 N ATOM 195 CA LEU A 14 6.056 3.151 0.233 1.00 0.00 C ATOM 196 C LEU A 14 7.538 3.613 0.301 1.00 0.00 C ATOM 197 O LEU A 14 8.128 4.010 -0.688 1.00 0.00 O ATOM 198 CB LEU A 14 5.221 4.050 1.129 1.00 0.00 C ATOM 199 CG LEU A 14 5.284 5.450 0.469 1.00 0.00 C ATOM 200 CD1 LEU A 14 4.311 5.504 -0.732 1.00 0.00 C ATOM 201 CD2 LEU A 14 4.976 6.526 1.487 1.00 0.00 C ATOM 0 H LEU A 14 5.479 1.524 1.539 1.00 0.00 H new ATOM 0 HA LEU A 14 5.631 3.207 -0.769 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.194 3.693 1.198 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.619 4.074 2.144 1.00 0.00 H new ATOM 0 HG LEU A 14 6.292 5.632 0.097 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.358 6.490 -1.194 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.593 4.747 -1.463 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.295 5.313 -0.386 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.024 7.504 1.008 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.976 6.369 1.891 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.706 6.481 2.296 1.00 0.00 H new ATOM 213 N THR A 15 8.096 3.545 1.488 1.00 0.00 N ATOM 214 CA THR A 15 9.550 3.967 1.650 1.00 0.00 C ATOM 215 C THR A 15 10.322 3.370 0.461 1.00 0.00 C ATOM 216 O THR A 15 10.951 4.103 -0.272 1.00 0.00 O ATOM 217 CB THR A 15 10.128 3.429 2.954 1.00 0.00 C ATOM 218 OG1 THR A 15 9.713 2.088 2.875 1.00 0.00 O ATOM 219 CG2 THR A 15 9.384 3.968 4.157 1.00 0.00 C ATOM 0 H THR A 15 7.632 3.226 2.339 1.00 0.00 H new ATOM 0 HA THR A 15 9.629 5.054 1.676 1.00 0.00 H new ATOM 0 HB THR A 15 11.190 3.652 3.060 1.00 0.00 H new ATOM 0 HG1 THR A 15 8.794 2.010 3.206 1.00 0.00 H new ATOM 0 HG21 THR A 15 9.824 3.563 5.068 1.00 0.00 H new ATOM 0 HG22 THR A 15 9.456 5.056 4.172 1.00 0.00 H new ATOM 0 HG23 THR A 15 8.336 3.674 4.098 1.00 0.00 H new ATOM 227 N TYR A 16 10.268 2.073 0.291 1.00 0.00 N ATOM 228 CA TYR A 16 10.974 1.402 -0.858 1.00 0.00 C ATOM 229 C TYR A 16 10.815 2.215 -2.154 1.00 0.00 C ATOM 230 O TYR A 16 11.811 2.563 -2.757 1.00 0.00 O ATOM 231 CB TYR A 16 10.377 -0.008 -0.967 1.00 0.00 C ATOM 232 CG TYR A 16 10.849 -0.895 -2.132 1.00 0.00 C ATOM 233 CD1 TYR A 16 12.179 -1.165 -2.407 1.00 0.00 C ATOM 234 CD2 TYR A 16 9.888 -1.480 -2.921 1.00 0.00 C ATOM 235 CE1 TYR A 16 12.523 -2.016 -3.460 1.00 0.00 C ATOM 236 CE2 TYR A 16 10.240 -2.315 -3.950 1.00 0.00 C ATOM 237 CZ TYR A 16 11.548 -2.599 -4.236 1.00 0.00 C ATOM 238 OH TYR A 16 11.828 -3.473 -5.273 1.00 0.00 O ATOM 0 H TYR A 16 9.759 1.437 0.905 1.00 0.00 H new ATOM 0 HA TYR A 16 12.049 1.340 -0.689 1.00 0.00 H new ATOM 0 HB2 TYR A 16 10.589 -0.535 -0.037 1.00 0.00 H new ATOM 0 HB3 TYR A 16 9.294 0.091 -1.038 1.00 0.00 H new ATOM 0 HD1 TYR A 16 12.954 -0.715 -1.804 1.00 0.00 H new ATOM 0 HD2 TYR A 16 8.844 -1.280 -2.729 1.00 0.00 H new ATOM 0 HE1 TYR A 16 13.564 -2.218 -3.667 1.00 0.00 H new ATOM 0 HE2 TYR A 16 9.463 -2.762 -4.552 1.00 0.00 H new ATOM 0 HH TYR A 16 12.778 -3.411 -5.506 1.00 0.00 H new ATOM 248 N VAL A 17 9.617 2.535 -2.585 1.00 0.00 N ATOM 249 CA VAL A 17 9.501 3.327 -3.871 1.00 0.00 C ATOM 250 C VAL A 17 10.211 4.674 -3.735 1.00 0.00 C ATOM 251 O VAL A 17 10.751 5.137 -4.721 1.00 0.00 O ATOM 252 CB VAL A 17 7.996 3.516 -4.257 1.00 0.00 C ATOM 253 CG1 VAL A 17 7.281 2.189 -3.989 1.00 0.00 C ATOM 254 CG2 VAL A 17 7.262 4.700 -3.605 1.00 0.00 C ATOM 0 H VAL A 17 8.737 2.296 -2.127 1.00 0.00 H new ATOM 0 HA VAL A 17 9.988 2.772 -4.672 1.00 0.00 H new ATOM 0 HB VAL A 17 7.974 3.788 -5.312 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.227 2.285 -4.248 1.00 0.00 H new ATOM 0 HG12 VAL A 17 7.733 1.403 -4.594 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.374 1.932 -2.934 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.229 4.723 -3.952 1.00 0.00 H new ATOM 0 HG22 VAL A 17 7.278 4.586 -2.521 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.758 5.631 -3.879 1.00 0.00 H new ATOM 264 N GLN A 18 10.206 5.285 -2.574 1.00 0.00 N ATOM 265 CA GLN A 18 10.931 6.595 -2.448 1.00 0.00 C ATOM 266 C GLN A 18 12.388 6.281 -1.923 1.00 0.00 C ATOM 267 O GLN A 18 13.132 7.159 -1.524 1.00 0.00 O ATOM 268 CB GLN A 18 10.125 7.539 -1.472 1.00 0.00 C ATOM 269 CG GLN A 18 9.726 6.781 -0.207 1.00 0.00 C ATOM 270 CD GLN A 18 8.976 7.598 0.844 1.00 0.00 C ATOM 271 OE1 GLN A 18 8.607 7.081 1.876 1.00 0.00 O ATOM 272 NE2 GLN A 18 8.721 8.853 0.647 1.00 0.00 N ATOM 0 H GLN A 18 9.746 4.948 -1.728 1.00 0.00 H new ATOM 0 HA GLN A 18 11.009 7.116 -3.402 1.00 0.00 H new ATOM 0 HB2 GLN A 18 10.733 8.405 -1.209 1.00 0.00 H new ATOM 0 HB3 GLN A 18 9.234 7.916 -1.974 1.00 0.00 H new ATOM 0 HG2 GLN A 18 9.104 5.933 -0.494 1.00 0.00 H new ATOM 0 HG3 GLN A 18 10.628 6.374 0.251 1.00 0.00 H new ATOM 0 HE21 GLN A 18 9.024 9.306 -0.216 1.00 0.00 H new ATOM 0 HE22 GLN A 18 8.218 9.388 1.354 1.00 0.00 H new ATOM 281 N GLY A 19 12.714 4.999 -1.947 1.00 0.00 N ATOM 282 CA GLY A 19 14.054 4.415 -1.527 1.00 0.00 C ATOM 283 C GLY A 19 14.114 3.152 -0.628 1.00 0.00 C ATOM 284 O GLY A 19 14.921 2.273 -0.877 1.00 0.00 O ATOM 0 H GLY A 19 12.059 4.284 -2.263 1.00 0.00 H new ATOM 0 HA2 GLY A 19 14.606 4.188 -2.439 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.602 5.204 -1.011 1.00 0.00 H new ATOM 288 N GLY A 20 13.282 3.101 0.378 1.00 0.00 N ATOM 289 CA GLY A 20 13.226 1.934 1.341 1.00 0.00 C ATOM 290 C GLY A 20 13.580 2.259 2.781 1.00 0.00 C ATOM 291 O GLY A 20 13.956 3.360 3.122 1.00 0.00 O ATOM 0 H GLY A 20 12.612 3.840 0.588 1.00 0.00 H new ATOM 0 HA2 GLY A 20 12.220 1.514 1.318 1.00 0.00 H new ATOM 0 HA3 GLY A 20 13.904 1.158 0.985 1.00 0.00 H new ATOM 295 N PRO A 21 13.438 1.257 3.610 1.00 0.00 N ATOM 296 CA PRO A 21 14.567 0.740 4.411 1.00 0.00 C ATOM 297 C PRO A 21 15.333 -0.456 3.787 1.00 0.00 C ATOM 298 O PRO A 21 16.546 -0.430 3.752 1.00 0.00 O ATOM 299 CB PRO A 21 13.864 0.457 5.732 1.00 0.00 C ATOM 300 CG PRO A 21 12.439 -0.049 5.327 1.00 0.00 C ATOM 301 CD PRO A 21 12.158 0.555 3.911 1.00 0.00 C ATOM 0 HA PRO A 21 15.403 1.434 4.499 1.00 0.00 H new ATOM 0 HB2 PRO A 21 14.400 -0.294 6.312 1.00 0.00 H new ATOM 0 HB3 PRO A 21 13.805 1.354 6.349 1.00 0.00 H new ATOM 0 HG2 PRO A 21 12.404 -1.138 5.301 1.00 0.00 H new ATOM 0 HG3 PRO A 21 11.689 0.278 6.047 1.00 0.00 H new ATOM 0 HD2 PRO A 21 11.934 -0.218 3.176 1.00 0.00 H new ATOM 0 HD3 PRO A 21 11.310 1.240 3.921 1.00 0.00 H new ATOM 309 N GLY A 22 14.619 -1.454 3.317 1.00 0.00 N ATOM 310 CA GLY A 22 15.311 -2.663 2.699 1.00 0.00 C ATOM 311 C GLY A 22 15.095 -3.064 1.213 1.00 0.00 C ATOM 312 O GLY A 22 16.069 -3.175 0.497 1.00 0.00 O ATOM 0 H GLY A 22 13.600 -1.496 3.328 1.00 0.00 H new ATOM 0 HA2 GLY A 22 16.383 -2.514 2.832 1.00 0.00 H new ATOM 0 HA3 GLY A 22 15.032 -3.527 3.302 1.00 0.00 H new ATOM 316 N PRO A 23 13.881 -3.293 0.752 1.00 0.00 N ATOM 317 CA PRO A 23 12.579 -3.023 1.436 1.00 0.00 C ATOM 318 C PRO A 23 12.535 -3.473 2.892 1.00 0.00 C ATOM 319 O PRO A 23 12.210 -2.689 3.762 1.00 0.00 O ATOM 320 CB PRO A 23 11.528 -3.738 0.539 1.00 0.00 C ATOM 321 CG PRO A 23 12.393 -4.751 -0.277 1.00 0.00 C ATOM 322 CD PRO A 23 13.655 -3.919 -0.577 1.00 0.00 C ATOM 0 HA PRO A 23 12.389 -1.954 1.526 1.00 0.00 H new ATOM 0 HB2 PRO A 23 10.767 -4.244 1.134 1.00 0.00 H new ATOM 0 HB3 PRO A 23 11.008 -3.035 -0.112 1.00 0.00 H new ATOM 0 HG2 PRO A 23 12.622 -5.648 0.298 1.00 0.00 H new ATOM 0 HG3 PRO A 23 11.891 -5.076 -1.189 1.00 0.00 H new ATOM 0 HD2 PRO A 23 14.495 -4.537 -0.893 1.00 0.00 H new ATOM 0 HD3 PRO A 23 13.489 -3.181 -1.362 1.00 0.00 H new ATOM 330 N SER A 24 12.880 -4.730 3.038 1.00 0.00 N ATOM 331 CA SER A 24 12.938 -5.499 4.346 1.00 0.00 C ATOM 332 C SER A 24 11.770 -6.506 4.379 1.00 0.00 C ATOM 333 O SER A 24 10.645 -6.060 4.329 1.00 0.00 O ATOM 334 CB SER A 24 12.793 -4.571 5.583 1.00 0.00 C ATOM 335 OG SER A 24 13.916 -3.710 5.452 1.00 0.00 O ATOM 0 H SER A 24 13.147 -5.306 2.240 1.00 0.00 H new ATOM 0 HA SER A 24 13.909 -5.992 4.394 1.00 0.00 H new ATOM 0 HB2 SER A 24 11.854 -4.018 5.568 1.00 0.00 H new ATOM 0 HB3 SER A 24 12.818 -5.132 6.517 1.00 0.00 H new ATOM 0 HG SER A 24 13.645 -2.886 4.996 1.00 0.00 H new ATOM 341 N GLY A 25 12.029 -7.799 4.448 1.00 0.00 N ATOM 342 CA GLY A 25 10.951 -8.885 4.494 1.00 0.00 C ATOM 343 C GLY A 25 9.553 -8.429 4.960 1.00 0.00 C ATOM 344 O GLY A 25 8.535 -8.769 4.374 1.00 0.00 O ATOM 0 H GLY A 25 12.978 -8.171 4.476 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.857 -9.319 3.498 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.292 -9.680 5.157 1.00 0.00 H new ATOM 348 N GLU A 26 9.615 -7.677 6.037 1.00 0.00 N ATOM 349 CA GLU A 26 8.409 -7.088 6.700 1.00 0.00 C ATOM 350 C GLU A 26 7.386 -6.544 5.706 1.00 0.00 C ATOM 351 O GLU A 26 6.211 -6.847 5.783 1.00 0.00 O ATOM 352 CB GLU A 26 8.826 -5.913 7.669 1.00 0.00 C ATOM 353 CG GLU A 26 9.584 -4.749 6.926 1.00 0.00 C ATOM 354 CD GLU A 26 9.881 -3.515 7.801 1.00 0.00 C ATOM 355 OE1 GLU A 26 8.933 -2.932 8.305 1.00 0.00 O ATOM 356 OE2 GLU A 26 11.062 -3.236 7.899 1.00 0.00 O ATOM 0 H GLU A 26 10.492 -7.440 6.500 1.00 0.00 H new ATOM 0 HA GLU A 26 7.947 -7.905 7.255 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.934 -5.511 8.150 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.463 -6.309 8.460 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.525 -5.137 6.536 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.989 -4.435 6.068 1.00 0.00 H new ATOM 363 N CYS A 27 7.853 -5.765 4.758 1.00 0.00 N ATOM 364 CA CYS A 27 6.848 -5.224 3.811 1.00 0.00 C ATOM 365 C CYS A 27 6.325 -6.326 2.963 1.00 0.00 C ATOM 366 O CYS A 27 5.136 -6.476 2.946 1.00 0.00 O ATOM 367 CB CYS A 27 7.385 -4.170 2.855 1.00 0.00 C ATOM 368 SG CYS A 27 5.972 -3.136 2.395 1.00 0.00 S ATOM 0 H CYS A 27 8.826 -5.497 4.608 1.00 0.00 H new ATOM 0 HA CYS A 27 6.087 -4.761 4.439 1.00 0.00 H new ATOM 0 HB2 CYS A 27 8.164 -3.574 3.330 1.00 0.00 H new ATOM 0 HB3 CYS A 27 7.830 -4.634 1.975 1.00 0.00 H new ATOM 373 N CYS A 28 7.148 -7.078 2.282 1.00 0.00 N ATOM 374 CA CYS A 28 6.572 -8.186 1.441 1.00 0.00 C ATOM 375 C CYS A 28 5.467 -8.954 2.173 1.00 0.00 C ATOM 376 O CYS A 28 4.408 -9.197 1.621 1.00 0.00 O ATOM 377 CB CYS A 28 7.694 -9.140 1.026 1.00 0.00 C ATOM 378 SG CYS A 28 8.567 -8.664 -0.482 1.00 0.00 S ATOM 0 H CYS A 28 8.164 -6.985 2.265 1.00 0.00 H new ATOM 0 HA CYS A 28 6.117 -7.737 0.558 1.00 0.00 H new ATOM 0 HB2 CYS A 28 8.415 -9.209 1.841 1.00 0.00 H new ATOM 0 HB3 CYS A 28 7.273 -10.136 0.888 1.00 0.00 H new ATOM 383 N ASN A 29 5.716 -9.314 3.410 1.00 0.00 N ATOM 384 CA ASN A 29 4.622 -10.057 4.116 1.00 0.00 C ATOM 385 C ASN A 29 3.477 -9.062 4.342 1.00 0.00 C ATOM 386 O ASN A 29 2.358 -9.401 4.042 1.00 0.00 O ATOM 387 CB ASN A 29 5.155 -10.653 5.474 1.00 0.00 C ATOM 388 CG ASN A 29 5.505 -9.618 6.501 1.00 0.00 C ATOM 389 OD1 ASN A 29 6.650 -9.475 6.860 1.00 0.00 O ATOM 390 ND2 ASN A 29 4.562 -8.876 7.004 1.00 0.00 N ATOM 0 H ASN A 29 6.573 -9.141 3.936 1.00 0.00 H new ATOM 0 HA ASN A 29 4.268 -10.901 3.523 1.00 0.00 H new ATOM 0 HB2 ASN A 29 4.398 -11.319 5.888 1.00 0.00 H new ATOM 0 HB3 ASN A 29 6.037 -11.260 5.271 1.00 0.00 H new ATOM 0 HD21 ASN A 29 4.788 -8.170 7.705 1.00 0.00 H new ATOM 0 HD22 ASN A 29 3.597 -9.000 6.698 1.00 0.00 H new ATOM 397 N GLY A 30 3.759 -7.882 4.836 1.00 0.00 N ATOM 398 CA GLY A 30 2.717 -6.834 5.093 1.00 0.00 C ATOM 399 C GLY A 30 1.784 -6.795 3.900 1.00 0.00 C ATOM 400 O GLY A 30 0.593 -6.960 3.963 1.00 0.00 O ATOM 0 H GLY A 30 4.705 -7.590 5.081 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.162 -7.064 6.003 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.185 -5.861 5.242 1.00 0.00 H new ATOM 404 N VAL A 31 2.449 -6.556 2.821 1.00 0.00 N ATOM 405 CA VAL A 31 1.907 -6.458 1.437 1.00 0.00 C ATOM 406 C VAL A 31 0.938 -7.623 1.303 1.00 0.00 C ATOM 407 O VAL A 31 -0.192 -7.463 0.896 1.00 0.00 O ATOM 408 CB VAL A 31 3.190 -6.512 0.567 1.00 0.00 C ATOM 409 CG1 VAL A 31 3.044 -7.201 -0.761 1.00 0.00 C ATOM 410 CG2 VAL A 31 3.623 -5.102 0.271 1.00 0.00 C ATOM 0 H VAL A 31 3.458 -6.408 2.845 1.00 0.00 H new ATOM 0 HA VAL A 31 1.340 -5.572 1.151 1.00 0.00 H new ATOM 0 HB VAL A 31 3.906 -7.090 1.151 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.998 -7.182 -1.287 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.737 -8.235 -0.603 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.291 -6.686 -1.357 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.525 -5.119 -0.341 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.830 -4.583 -0.267 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.829 -4.581 1.206 1.00 0.00 H new ATOM 420 N ARG A 32 1.413 -8.785 1.653 1.00 0.00 N ATOM 421 CA ARG A 32 0.564 -10.012 1.582 1.00 0.00 C ATOM 422 C ARG A 32 -0.643 -9.852 2.569 1.00 0.00 C ATOM 423 O ARG A 32 -1.788 -9.991 2.170 1.00 0.00 O ATOM 424 CB ARG A 32 1.519 -11.160 1.933 1.00 0.00 C ATOM 425 CG ARG A 32 1.217 -12.402 1.095 1.00 0.00 C ATOM 426 CD ARG A 32 -0.175 -12.990 1.461 1.00 0.00 C ATOM 427 NE ARG A 32 -0.456 -14.209 0.610 1.00 0.00 N ATOM 428 CZ ARG A 32 0.305 -14.565 -0.358 1.00 0.00 C ATOM 429 NH1 ARG A 32 1.360 -15.224 -0.101 1.00 0.00 N ATOM 430 NH2 ARG A 32 -0.034 -14.238 -1.537 1.00 0.00 N ATOM 0 H ARG A 32 2.363 -8.941 1.989 1.00 0.00 H new ATOM 0 HA ARG A 32 0.112 -10.200 0.608 1.00 0.00 H new ATOM 0 HB2 ARG A 32 2.549 -10.845 1.764 1.00 0.00 H new ATOM 0 HB3 ARG A 32 1.429 -11.401 2.992 1.00 0.00 H new ATOM 0 HG2 ARG A 32 1.242 -12.146 0.036 1.00 0.00 H new ATOM 0 HG3 ARG A 32 1.989 -13.154 1.259 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -0.200 -13.259 2.517 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -0.950 -12.239 1.304 1.00 0.00 H new ATOM 0 HE ARG A 32 -1.283 -14.769 0.815 1.00 0.00 H new ATOM 0 HH11 ARG A 32 1.590 -15.462 0.864 1.00 0.00 H new ATOM 0 HH12 ARG A 32 1.977 -15.515 -0.859 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -0.891 -13.707 -1.693 1.00 0.00 H new ATOM 0 HH22 ARG A 32 0.550 -14.506 -2.329 1.00 0.00 H new ATOM 444 N ASP A 33 -0.364 -9.570 3.825 1.00 0.00 N ATOM 445 CA ASP A 33 -1.447 -9.380 4.874 1.00 0.00 C ATOM 446 C ASP A 33 -2.552 -8.530 4.245 1.00 0.00 C ATOM 447 O ASP A 33 -3.720 -8.859 4.224 1.00 0.00 O ATOM 448 CB ASP A 33 -0.862 -8.649 6.113 1.00 0.00 C ATOM 449 CG ASP A 33 0.219 -9.514 6.732 1.00 0.00 C ATOM 450 OD1 ASP A 33 -0.234 -10.486 7.306 1.00 0.00 O ATOM 451 OD2 ASP A 33 1.391 -9.178 6.602 1.00 0.00 O ATOM 0 H ASP A 33 0.585 -9.460 4.182 1.00 0.00 H new ATOM 0 HA ASP A 33 -1.839 -10.344 5.199 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.450 -7.683 5.820 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.649 -8.452 6.841 1.00 0.00 H new ATOM 456 N LEU A 34 -2.084 -7.422 3.753 1.00 0.00 N ATOM 457 CA LEU A 34 -2.872 -6.382 3.063 1.00 0.00 C ATOM 458 C LEU A 34 -3.619 -7.120 1.968 1.00 0.00 C ATOM 459 O LEU A 34 -4.827 -7.069 1.979 1.00 0.00 O ATOM 460 CB LEU A 34 -1.804 -5.352 2.589 1.00 0.00 C ATOM 461 CG LEU A 34 -1.549 -4.255 3.641 1.00 0.00 C ATOM 462 CD1 LEU A 34 -2.638 -3.176 3.579 1.00 0.00 C ATOM 463 CD2 LEU A 34 -1.516 -4.836 5.063 1.00 0.00 C ATOM 0 H LEU A 34 -1.094 -7.184 3.813 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.620 -5.837 3.638 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.870 -5.872 2.374 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.134 -4.891 1.658 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.578 -3.815 3.411 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.437 -2.413 4.331 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.642 -2.719 2.589 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.610 -3.629 3.773 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.334 -4.035 5.779 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.472 -5.311 5.284 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.718 -5.575 5.136 1.00 0.00 H new ATOM 475 N HIS A 35 -2.953 -7.777 1.050 1.00 0.00 N ATOM 476 CA HIS A 35 -3.735 -8.507 -0.010 1.00 0.00 C ATOM 477 C HIS A 35 -4.799 -9.435 0.632 1.00 0.00 C ATOM 478 O HIS A 35 -5.738 -9.808 -0.041 1.00 0.00 O ATOM 479 CB HIS A 35 -2.746 -9.313 -0.844 1.00 0.00 C ATOM 480 CG HIS A 35 -3.350 -9.919 -2.138 1.00 0.00 C ATOM 481 ND1 HIS A 35 -4.556 -10.348 -2.300 1.00 0.00 N ATOM 482 CD2 HIS A 35 -2.771 -10.156 -3.376 1.00 0.00 C ATOM 483 CE1 HIS A 35 -4.725 -10.805 -3.501 1.00 0.00 C ATOM 484 NE2 HIS A 35 -3.632 -10.704 -4.206 1.00 0.00 N ATOM 0 H HIS A 35 -1.937 -7.843 0.983 1.00 0.00 H new ATOM 0 HA HIS A 35 -4.268 -7.796 -0.641 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -1.908 -8.671 -1.114 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -2.345 -10.120 -0.231 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -5.279 -10.330 -1.580 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -1.747 -9.921 -3.626 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -5.652 -11.217 -3.871 1.00 0.00 H new ATOM 492 N ASN A 36 -4.667 -9.782 1.894 1.00 0.00 N ATOM 493 CA ASN A 36 -5.686 -10.686 2.535 1.00 0.00 C ATOM 494 C ASN A 36 -6.763 -9.844 3.264 1.00 0.00 C ATOM 495 O ASN A 36 -7.910 -10.234 3.285 1.00 0.00 O ATOM 496 CB ASN A 36 -4.868 -11.655 3.499 1.00 0.00 C ATOM 497 CG ASN A 36 -5.636 -12.935 3.875 1.00 0.00 C ATOM 498 OD1 ASN A 36 -6.740 -12.923 4.353 1.00 0.00 O ATOM 499 ND2 ASN A 36 -5.112 -14.104 3.690 1.00 0.00 N ATOM 0 H ASN A 36 -3.906 -9.483 2.504 1.00 0.00 H new ATOM 0 HA ASN A 36 -6.239 -11.284 1.810 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -3.931 -11.931 3.015 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -4.609 -11.115 4.410 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -5.633 -14.943 3.946 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -4.178 -14.186 3.288 1.00 0.00 H new ATOM 506 N GLN A 37 -6.412 -8.717 3.830 1.00 0.00 N ATOM 507 CA GLN A 37 -7.462 -7.877 4.547 1.00 0.00 C ATOM 508 C GLN A 37 -7.956 -6.610 3.830 1.00 0.00 C ATOM 509 O GLN A 37 -9.032 -6.116 4.102 1.00 0.00 O ATOM 510 CB GLN A 37 -6.995 -7.354 5.934 1.00 0.00 C ATOM 511 CG GLN A 37 -5.493 -7.056 6.044 1.00 0.00 C ATOM 512 CD GLN A 37 -4.939 -7.796 7.263 1.00 0.00 C ATOM 513 OE1 GLN A 37 -4.087 -8.748 7.094 1.00 0.00 O flip ATOM 514 NE2 GLN A 37 -5.285 -7.510 8.391 1.00 0.00 N flip ATOM 0 H GLN A 37 -5.466 -8.334 3.836 1.00 0.00 H new ATOM 0 HA GLN A 37 -8.266 -8.611 4.601 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.548 -6.444 6.167 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.260 -8.092 6.691 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -4.976 -7.376 5.139 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -5.326 -5.984 6.144 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -5.958 -6.759 8.543 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.902 -8.021 9.187 1.00 0.00 H new ATOM 523 N ALA A 38 -7.183 -6.111 2.914 1.00 0.00 N ATOM 524 CA ALA A 38 -7.586 -4.877 2.176 1.00 0.00 C ATOM 525 C ALA A 38 -8.623 -5.208 1.082 1.00 0.00 C ATOM 526 O ALA A 38 -8.856 -4.445 0.160 1.00 0.00 O ATOM 527 CB ALA A 38 -6.306 -4.264 1.566 1.00 0.00 C ATOM 0 H ALA A 38 -6.283 -6.503 2.639 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.059 -4.164 2.851 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.562 -3.358 1.017 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.604 -4.019 2.363 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.847 -4.982 0.886 1.00 0.00 H new ATOM 533 N GLN A 39 -9.239 -6.353 1.197 1.00 0.00 N ATOM 534 CA GLN A 39 -10.265 -6.760 0.201 1.00 0.00 C ATOM 535 C GLN A 39 -11.655 -6.773 0.844 1.00 0.00 C ATOM 536 O GLN A 39 -12.441 -7.689 0.697 1.00 0.00 O ATOM 537 CB GLN A 39 -9.826 -8.145 -0.338 1.00 0.00 C ATOM 538 CG GLN A 39 -8.621 -7.911 -1.299 1.00 0.00 C ATOM 539 CD GLN A 39 -9.066 -6.981 -2.430 1.00 0.00 C ATOM 540 OE1 GLN A 39 -8.655 -5.756 -2.488 1.00 0.00 O flip ATOM 541 NE2 GLN A 39 -9.825 -7.350 -3.295 1.00 0.00 N flip ATOM 0 H GLN A 39 -9.073 -7.027 1.944 1.00 0.00 H new ATOM 0 HA GLN A 39 -10.339 -6.057 -0.629 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -9.540 -8.803 0.483 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -10.648 -8.630 -0.864 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -7.785 -7.471 -0.756 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -8.273 -8.860 -1.706 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -10.176 -8.308 -3.291 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -10.115 -6.704 -4.029 1.00 0.00 H new ATOM 550 N SER A 40 -11.945 -5.714 1.559 1.00 0.00 N ATOM 551 CA SER A 40 -13.283 -5.641 2.219 1.00 0.00 C ATOM 552 C SER A 40 -14.172 -4.484 1.805 1.00 0.00 C ATOM 553 O SER A 40 -15.105 -4.703 1.057 1.00 0.00 O ATOM 554 CB SER A 40 -13.128 -5.564 3.756 1.00 0.00 C ATOM 555 OG SER A 40 -14.476 -5.526 4.245 1.00 0.00 O ATOM 0 H SER A 40 -11.329 -4.915 1.712 1.00 0.00 H new ATOM 0 HA SER A 40 -13.774 -6.555 1.885 1.00 0.00 H new ATOM 0 HB2 SER A 40 -12.587 -6.427 4.145 1.00 0.00 H new ATOM 0 HB3 SER A 40 -12.571 -4.677 4.056 1.00 0.00 H new ATOM 0 HG SER A 40 -14.871 -4.651 4.047 1.00 0.00 H new ATOM 561 N SER A 41 -13.873 -3.291 2.251 1.00 0.00 N ATOM 562 CA SER A 41 -14.792 -2.161 1.858 1.00 0.00 C ATOM 563 C SER A 41 -14.240 -0.828 1.355 1.00 0.00 C ATOM 564 O SER A 41 -14.721 0.211 1.756 1.00 0.00 O ATOM 565 CB SER A 41 -15.692 -1.929 3.091 1.00 0.00 C ATOM 566 OG SER A 41 -16.064 -3.255 3.481 1.00 0.00 O ATOM 0 H SER A 41 -13.077 -3.048 2.841 1.00 0.00 H new ATOM 0 HA SER A 41 -15.277 -2.504 0.944 1.00 0.00 H new ATOM 0 HB2 SER A 41 -15.158 -1.410 3.887 1.00 0.00 H new ATOM 0 HB3 SER A 41 -16.564 -1.323 2.845 1.00 0.00 H new ATOM 0 HG SER A 41 -16.644 -3.213 4.270 1.00 0.00 H new ATOM 572 N GLY A 42 -13.267 -0.863 0.493 1.00 0.00 N ATOM 573 CA GLY A 42 -12.691 0.428 -0.034 1.00 0.00 C ATOM 574 C GLY A 42 -11.204 0.431 0.169 1.00 0.00 C ATOM 575 O GLY A 42 -10.483 1.110 -0.530 1.00 0.00 O ATOM 0 H GLY A 42 -12.841 -1.714 0.126 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -12.925 0.538 -1.093 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -13.141 1.277 0.481 1.00 0.00 H new ATOM 579 N ASP A 43 -10.815 -0.339 1.142 1.00 0.00 N ATOM 580 CA ASP A 43 -9.403 -0.536 1.555 1.00 0.00 C ATOM 581 C ASP A 43 -8.427 -0.151 0.416 1.00 0.00 C ATOM 582 O ASP A 43 -7.714 0.827 0.450 1.00 0.00 O ATOM 583 CB ASP A 43 -9.301 -2.031 1.961 1.00 0.00 C ATOM 584 CG ASP A 43 -10.611 -2.850 1.875 1.00 0.00 C ATOM 585 OD1 ASP A 43 -11.207 -3.027 0.837 1.00 0.00 O ATOM 586 OD2 ASP A 43 -11.046 -3.327 2.891 1.00 0.00 O ATOM 0 H ASP A 43 -11.472 -0.878 1.706 1.00 0.00 H new ATOM 0 HA ASP A 43 -9.120 0.108 2.388 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -8.555 -2.509 1.326 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -8.930 -2.084 2.984 1.00 0.00 H new ATOM 591 N ARG A 44 -8.434 -0.976 -0.592 1.00 0.00 N ATOM 592 CA ARG A 44 -7.573 -0.768 -1.782 1.00 0.00 C ATOM 593 C ARG A 44 -7.452 0.736 -2.177 1.00 0.00 C ATOM 594 O ARG A 44 -6.374 1.307 -2.213 1.00 0.00 O ATOM 595 CB ARG A 44 -8.175 -1.518 -2.923 1.00 0.00 C ATOM 596 CG ARG A 44 -8.780 -2.832 -2.571 1.00 0.00 C ATOM 597 CD ARG A 44 -10.322 -2.670 -2.514 1.00 0.00 C ATOM 598 NE ARG A 44 -10.793 -3.742 -1.593 1.00 0.00 N ATOM 599 CZ ARG A 44 -11.762 -4.550 -1.812 1.00 0.00 C ATOM 600 NH1 ARG A 44 -11.793 -5.230 -2.880 1.00 0.00 N ATOM 601 NH2 ARG A 44 -12.639 -4.609 -0.899 1.00 0.00 N ATOM 0 H ARG A 44 -9.020 -1.810 -0.639 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.571 -1.124 -1.543 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -8.942 -0.894 -3.382 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -7.404 -1.681 -3.676 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -8.506 -3.584 -3.311 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -8.400 -3.177 -1.609 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -10.601 -1.683 -2.145 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -10.766 -2.778 -3.504 1.00 0.00 H new ATOM 0 HE ARG A 44 -10.298 -3.842 -0.707 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -11.045 -5.135 -3.567 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -12.566 -5.873 -3.053 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -12.543 -4.035 -0.061 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -13.441 -5.230 -1.002 1.00 0.00 H new ATOM 615 N GLN A 45 -8.604 1.311 -2.474 1.00 0.00 N ATOM 616 CA GLN A 45 -8.696 2.751 -2.867 1.00 0.00 C ATOM 617 C GLN A 45 -8.149 3.537 -1.642 1.00 0.00 C ATOM 618 O GLN A 45 -7.279 4.373 -1.755 1.00 0.00 O ATOM 619 CB GLN A 45 -10.216 3.007 -3.204 1.00 0.00 C ATOM 620 CG GLN A 45 -10.684 1.925 -4.270 1.00 0.00 C ATOM 621 CD GLN A 45 -12.140 2.088 -4.715 1.00 0.00 C ATOM 622 OE1 GLN A 45 -13.099 1.855 -4.013 1.00 0.00 O ATOM 623 NE2 GLN A 45 -12.352 2.496 -5.910 1.00 0.00 N ATOM 0 H GLN A 45 -9.500 0.824 -2.458 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.122 3.059 -3.741 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -10.822 2.936 -2.301 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -10.352 4.013 -3.600 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -10.037 1.987 -5.145 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -10.552 0.930 -3.846 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -11.565 2.701 -6.526 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -13.308 2.616 -6.246 1.00 0.00 H new ATOM 632 N THR A 46 -8.650 3.254 -0.472 1.00 0.00 N ATOM 633 CA THR A 46 -8.155 3.975 0.771 1.00 0.00 C ATOM 634 C THR A 46 -6.596 4.060 0.715 1.00 0.00 C ATOM 635 O THR A 46 -5.970 5.088 0.930 1.00 0.00 O ATOM 636 CB THR A 46 -8.726 3.156 1.973 1.00 0.00 C ATOM 637 OG1 THR A 46 -10.014 3.719 2.173 1.00 0.00 O ATOM 638 CG2 THR A 46 -8.148 3.440 3.317 1.00 0.00 C ATOM 0 H THR A 46 -9.379 2.560 -0.306 1.00 0.00 H new ATOM 0 HA THR A 46 -8.491 5.008 0.863 1.00 0.00 H new ATOM 0 HB THR A 46 -8.581 2.107 1.715 1.00 0.00 H new ATOM 0 HG1 THR A 46 -10.459 3.262 2.917 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.630 2.806 4.062 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.078 3.235 3.304 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.313 4.487 3.570 1.00 0.00 H new ATOM 646 N VAL A 47 -5.983 2.949 0.391 1.00 0.00 N ATOM 647 CA VAL A 47 -4.482 2.908 0.297 1.00 0.00 C ATOM 648 C VAL A 47 -4.136 3.871 -0.852 1.00 0.00 C ATOM 649 O VAL A 47 -3.340 4.768 -0.666 1.00 0.00 O ATOM 650 CB VAL A 47 -3.972 1.472 -0.053 1.00 0.00 C ATOM 651 CG1 VAL A 47 -3.053 1.392 -1.296 1.00 0.00 C ATOM 652 CG2 VAL A 47 -3.250 0.914 1.122 1.00 0.00 C ATOM 0 H VAL A 47 -6.452 2.067 0.187 1.00 0.00 H new ATOM 0 HA VAL A 47 -4.017 3.184 1.243 1.00 0.00 H new ATOM 0 HB VAL A 47 -4.861 0.892 -0.302 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.751 0.358 -1.459 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.592 1.754 -2.171 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.168 2.008 -1.134 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.891 -0.088 0.886 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.403 1.555 1.367 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -3.926 0.865 1.975 1.00 0.00 H new ATOM 662 N CYS A 48 -4.729 3.657 -2.009 1.00 0.00 N ATOM 663 CA CYS A 48 -4.477 4.543 -3.202 1.00 0.00 C ATOM 664 C CYS A 48 -4.406 6.007 -2.719 1.00 0.00 C ATOM 665 O CYS A 48 -3.539 6.754 -3.123 1.00 0.00 O ATOM 666 CB CYS A 48 -5.611 4.324 -4.195 1.00 0.00 C ATOM 667 SG CYS A 48 -5.647 5.383 -5.651 1.00 0.00 S ATOM 0 H CYS A 48 -5.386 2.896 -2.180 1.00 0.00 H new ATOM 0 HA CYS A 48 -3.534 4.307 -3.695 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -5.570 3.288 -4.532 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -6.554 4.449 -3.663 1.00 0.00 H new ATOM 672 N ASN A 49 -5.334 6.374 -1.861 1.00 0.00 N ATOM 673 CA ASN A 49 -5.381 7.767 -1.282 1.00 0.00 C ATOM 674 C ASN A 49 -4.055 8.001 -0.507 1.00 0.00 C ATOM 675 O ASN A 49 -3.422 9.028 -0.657 1.00 0.00 O ATOM 676 CB ASN A 49 -6.573 7.916 -0.289 1.00 0.00 C ATOM 677 CG ASN A 49 -7.882 7.594 -0.978 1.00 0.00 C ATOM 678 OD1 ASN A 49 -8.379 6.496 -1.003 1.00 0.00 O ATOM 679 ND2 ASN A 49 -8.525 8.526 -1.591 1.00 0.00 N ATOM 0 H ASN A 49 -6.076 5.757 -1.530 1.00 0.00 H new ATOM 0 HA ASN A 49 -5.509 8.491 -2.087 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -6.430 7.250 0.562 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -6.602 8.933 0.103 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -9.404 8.314 -2.062 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -8.155 9.476 -1.605 1.00 0.00 H new ATOM 686 N CYS A 50 -3.663 7.056 0.309 1.00 0.00 N ATOM 687 CA CYS A 50 -2.375 7.234 1.075 1.00 0.00 C ATOM 688 C CYS A 50 -1.232 7.444 0.078 1.00 0.00 C ATOM 689 O CYS A 50 -0.450 8.374 0.183 1.00 0.00 O ATOM 690 CB CYS A 50 -2.068 5.987 1.952 1.00 0.00 C ATOM 691 SG CYS A 50 -1.789 6.330 3.708 1.00 0.00 S ATOM 0 H CYS A 50 -4.162 6.183 0.482 1.00 0.00 H new ATOM 0 HA CYS A 50 -2.475 8.098 1.732 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -2.898 5.286 1.862 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -1.186 5.489 1.551 1.00 0.00 H new ATOM 696 N LEU A 51 -1.179 6.561 -0.892 1.00 0.00 N ATOM 697 CA LEU A 51 -0.108 6.664 -1.934 1.00 0.00 C ATOM 698 C LEU A 51 -0.196 8.066 -2.488 1.00 0.00 C ATOM 699 O LEU A 51 0.747 8.810 -2.482 1.00 0.00 O ATOM 700 CB LEU A 51 -0.347 5.659 -3.072 1.00 0.00 C ATOM 701 CG LEU A 51 -0.461 4.230 -2.523 1.00 0.00 C ATOM 702 CD1 LEU A 51 -0.309 3.241 -3.668 1.00 0.00 C ATOM 703 CD2 LEU A 51 0.580 3.945 -1.457 1.00 0.00 C ATOM 0 H LEU A 51 -1.825 5.780 -1.007 1.00 0.00 H new ATOM 0 HA LEU A 51 0.869 6.448 -1.501 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.259 5.921 -3.609 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.472 5.714 -3.789 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.441 4.124 -2.058 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.389 2.224 -3.284 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.094 3.413 -4.404 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.665 3.375 -4.138 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.462 2.923 -1.097 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.577 4.068 -1.880 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.450 4.639 -0.627 1.00 0.00 H new ATOM 715 N LYS A 52 -1.346 8.420 -2.979 1.00 0.00 N ATOM 716 CA LYS A 52 -1.562 9.789 -3.554 1.00 0.00 C ATOM 717 C LYS A 52 -1.162 10.969 -2.647 1.00 0.00 C ATOM 718 O LYS A 52 -0.498 11.906 -3.055 1.00 0.00 O ATOM 719 CB LYS A 52 -3.047 9.885 -3.938 1.00 0.00 C ATOM 720 CG LYS A 52 -3.160 9.668 -5.494 1.00 0.00 C ATOM 721 CD LYS A 52 -2.795 10.922 -6.415 1.00 0.00 C ATOM 722 CE LYS A 52 -1.429 11.611 -6.129 1.00 0.00 C ATOM 723 NZ LYS A 52 -1.222 12.676 -7.154 1.00 0.00 N ATOM 0 H LYS A 52 -2.165 7.813 -3.010 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.895 9.889 -4.410 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.628 9.133 -3.405 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.451 10.858 -3.658 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.509 8.839 -5.771 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -4.181 9.362 -5.723 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.803 10.597 -7.455 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.583 11.667 -6.308 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.422 12.041 -5.127 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.620 10.882 -6.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.203 12.820 -7.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.666 12.387 -8.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.652 13.563 -6.824 1.00 0.00 H new ATOM 737 N GLY A 53 -1.577 10.916 -1.411 1.00 0.00 N ATOM 738 CA GLY A 53 -1.240 12.022 -0.463 1.00 0.00 C ATOM 739 C GLY A 53 0.241 12.087 -0.219 1.00 0.00 C ATOM 740 O GLY A 53 0.741 13.185 -0.163 1.00 0.00 O ATOM 0 H GLY A 53 -2.133 10.158 -1.015 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -1.588 12.972 -0.868 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.762 11.868 0.482 1.00 0.00 H new ATOM 744 N ILE A 54 0.926 10.994 -0.062 1.00 0.00 N ATOM 745 CA ILE A 54 2.404 11.134 0.162 1.00 0.00 C ATOM 746 C ILE A 54 2.988 11.475 -1.202 1.00 0.00 C ATOM 747 O ILE A 54 3.764 12.402 -1.341 1.00 0.00 O ATOM 748 CB ILE A 54 2.923 9.817 0.710 1.00 0.00 C ATOM 749 CG1 ILE A 54 4.400 10.026 1.158 1.00 0.00 C ATOM 750 CG2 ILE A 54 2.852 8.651 -0.276 1.00 0.00 C ATOM 751 CD1 ILE A 54 4.552 9.566 2.613 1.00 0.00 C ATOM 0 H ILE A 54 0.556 10.044 -0.076 1.00 0.00 H new ATOM 0 HA ILE A 54 2.676 11.908 0.880 1.00 0.00 H new ATOM 0 HB ILE A 54 2.275 9.540 1.542 1.00 0.00 H new ATOM 0 HG12 ILE A 54 5.072 9.461 0.513 1.00 0.00 H new ATOM 0 HG13 ILE A 54 4.676 11.076 1.065 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.243 7.750 0.197 1.00 0.00 H new ATOM 0 HG22 ILE A 54 1.816 8.486 -0.570 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.447 8.884 -1.159 1.00 0.00 H new ATOM 0 HD11 ILE A 54 5.584 9.709 2.934 1.00 0.00 H new ATOM 0 HD12 ILE A 54 3.889 10.151 3.251 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.291 8.510 2.690 1.00 0.00 H new ATOM 763 N ALA A 55 2.588 10.693 -2.173 1.00 0.00 N ATOM 764 CA ALA A 55 3.015 10.844 -3.611 1.00 0.00 C ATOM 765 C ALA A 55 3.172 12.309 -3.896 1.00 0.00 C ATOM 766 O ALA A 55 4.152 12.713 -4.489 1.00 0.00 O ATOM 767 CB ALA A 55 1.979 10.227 -4.515 1.00 0.00 C ATOM 0 H ALA A 55 1.948 9.913 -2.023 1.00 0.00 H new ATOM 0 HA ALA A 55 3.961 10.334 -3.790 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.290 10.338 -5.554 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.874 9.168 -4.278 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.022 10.728 -4.368 1.00 0.00 H new ATOM 773 N ARG A 56 2.164 13.013 -3.429 1.00 0.00 N ATOM 774 CA ARG A 56 2.035 14.477 -3.536 1.00 0.00 C ATOM 775 C ARG A 56 3.432 15.107 -3.735 1.00 0.00 C ATOM 776 O ARG A 56 3.644 15.832 -4.678 1.00 0.00 O ATOM 777 CB ARG A 56 1.373 14.888 -2.267 1.00 0.00 C ATOM 778 CG ARG A 56 0.875 16.328 -2.307 1.00 0.00 C ATOM 779 CD ARG A 56 0.658 16.730 -0.859 1.00 0.00 C ATOM 780 NE ARG A 56 -0.199 15.695 -0.190 1.00 0.00 N ATOM 781 CZ ARG A 56 -1.392 15.882 0.198 1.00 0.00 C ATOM 782 NH1 ARG A 56 -1.573 16.459 1.307 1.00 0.00 N ATOM 783 NH2 ARG A 56 -2.317 15.463 -0.557 1.00 0.00 N ATOM 0 H ARG A 56 1.377 12.581 -2.945 1.00 0.00 H new ATOM 0 HA ARG A 56 1.447 14.810 -4.391 1.00 0.00 H new ATOM 0 HB2 ARG A 56 0.533 14.222 -2.067 1.00 0.00 H new ATOM 0 HB3 ARG A 56 2.075 14.773 -1.441 1.00 0.00 H new ATOM 0 HG2 ARG A 56 1.603 16.980 -2.789 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -0.050 16.406 -2.878 1.00 0.00 H new ATOM 0 HD2 ARG A 56 1.615 16.817 -0.344 1.00 0.00 H new ATOM 0 HD3 ARG A 56 0.178 17.707 -0.807 1.00 0.00 H new ATOM 0 HE ARG A 56 0.208 14.773 -0.036 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -0.772 16.760 1.862 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.520 16.624 1.647 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -2.087 14.998 -1.435 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -3.292 15.590 -0.287 1.00 0.00 H new ATOM 797 N GLY A 57 4.325 14.793 -2.818 1.00 0.00 N ATOM 798 CA GLY A 57 5.752 15.298 -2.835 1.00 0.00 C ATOM 799 C GLY A 57 6.759 14.192 -2.442 1.00 0.00 C ATOM 800 O GLY A 57 7.818 14.456 -1.903 1.00 0.00 O ATOM 0 H GLY A 57 4.118 14.184 -2.027 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.993 15.672 -3.830 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.848 16.138 -2.147 1.00 0.00 H new ATOM 804 N ILE A 58 6.412 12.964 -2.725 1.00 0.00 N ATOM 805 CA ILE A 58 7.283 11.788 -2.400 1.00 0.00 C ATOM 806 C ILE A 58 8.739 11.936 -2.028 1.00 0.00 C ATOM 807 O ILE A 58 9.045 11.576 -0.911 1.00 0.00 O ATOM 808 CB ILE A 58 7.144 10.797 -3.592 1.00 0.00 C ATOM 809 CG1 ILE A 58 6.041 9.858 -3.147 1.00 0.00 C ATOM 810 CG2 ILE A 58 8.443 9.999 -3.977 1.00 0.00 C ATOM 811 CD1 ILE A 58 6.524 8.766 -2.209 1.00 0.00 C ATOM 0 H ILE A 58 5.534 12.717 -3.182 1.00 0.00 H new ATOM 0 HA ILE A 58 6.897 11.465 -1.433 1.00 0.00 H new ATOM 0 HB ILE A 58 6.933 11.349 -4.508 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.261 10.435 -2.651 1.00 0.00 H new ATOM 0 HG13 ILE A 58 5.588 9.399 -4.026 1.00 0.00 H new ATOM 0 HG21 ILE A 58 8.229 9.340 -4.819 1.00 0.00 H new ATOM 0 HG22 ILE A 58 9.231 10.699 -4.255 1.00 0.00 H new ATOM 0 HG23 ILE A 58 8.770 9.404 -3.125 1.00 0.00 H new ATOM 0 HD11 ILE A 58 5.685 8.129 -1.929 1.00 0.00 H new ATOM 0 HD12 ILE A 58 7.284 8.166 -2.710 1.00 0.00 H new ATOM 0 HD13 ILE A 58 6.951 9.218 -1.314 1.00 0.00 H new ATOM 823 N HIS A 59 9.517 12.435 -2.965 1.00 0.00 N ATOM 824 CA HIS A 59 11.010 12.690 -2.896 1.00 0.00 C ATOM 825 C HIS A 59 11.873 11.911 -3.934 1.00 0.00 C ATOM 826 O HIS A 59 12.193 12.462 -4.965 1.00 0.00 O ATOM 827 CB HIS A 59 11.560 12.352 -1.477 1.00 0.00 C ATOM 828 CG HIS A 59 11.378 13.570 -0.562 1.00 0.00 C ATOM 829 ND1 HIS A 59 10.359 14.370 -0.506 1.00 0.00 N ATOM 830 CD2 HIS A 59 12.250 14.068 0.388 1.00 0.00 C ATOM 831 CE1 HIS A 59 10.576 15.282 0.391 1.00 0.00 C ATOM 832 NE2 HIS A 59 11.739 15.132 0.971 1.00 0.00 N ATOM 0 H HIS A 59 9.134 12.704 -3.871 1.00 0.00 H new ATOM 0 HA HIS A 59 11.104 13.750 -3.134 1.00 0.00 H new ATOM 0 HB2 HIS A 59 11.033 11.491 -1.065 1.00 0.00 H new ATOM 0 HB3 HIS A 59 12.614 12.082 -1.537 1.00 0.00 H new ATOM 0 HD1 HIS A 59 9.518 14.294 -1.078 1.00 0.00 H new ATOM 0 HD2 HIS A 59 13.216 13.643 0.620 1.00 0.00 H new ATOM 0 HE1 HIS A 59 9.879 16.071 0.630 1.00 0.00 H new ATOM 840 N ASN A 60 12.218 10.675 -3.671 1.00 0.00 N ATOM 841 CA ASN A 60 13.069 9.885 -4.647 1.00 0.00 C ATOM 842 C ASN A 60 12.271 8.689 -5.222 1.00 0.00 C ATOM 843 O ASN A 60 12.585 7.545 -4.967 1.00 0.00 O ATOM 844 CB ASN A 60 14.357 9.396 -3.875 1.00 0.00 C ATOM 845 CG ASN A 60 14.617 10.253 -2.643 1.00 0.00 C ATOM 846 OD1 ASN A 60 15.005 11.397 -2.698 1.00 0.00 O ATOM 847 ND2 ASN A 60 14.403 9.738 -1.477 1.00 0.00 N ATOM 0 H ASN A 60 11.953 10.169 -2.826 1.00 0.00 H new ATOM 0 HA ASN A 60 13.359 10.509 -5.493 1.00 0.00 H new ATOM 0 HB2 ASN A 60 14.233 8.355 -3.578 1.00 0.00 H new ATOM 0 HB3 ASN A 60 15.220 9.437 -4.539 1.00 0.00 H new ATOM 0 HD21 ASN A 60 14.562 10.294 -0.637 1.00 0.00 H new ATOM 0 HD22 ASN A 60 14.075 8.775 -1.397 1.00 0.00 H new ATOM 854 N LEU A 61 11.260 8.988 -5.991 1.00 0.00 N ATOM 855 CA LEU A 61 10.433 7.882 -6.574 1.00 0.00 C ATOM 856 C LEU A 61 11.161 6.941 -7.557 1.00 0.00 C ATOM 857 O LEU A 61 11.810 7.353 -8.498 1.00 0.00 O ATOM 858 CB LEU A 61 9.213 8.501 -7.284 1.00 0.00 C ATOM 859 CG LEU A 61 8.151 7.423 -7.632 1.00 0.00 C ATOM 860 CD1 LEU A 61 7.721 6.655 -6.372 1.00 0.00 C ATOM 861 CD2 LEU A 61 6.896 8.112 -8.191 1.00 0.00 C ATOM 0 H LEU A 61 10.970 9.934 -6.241 1.00 0.00 H new ATOM 0 HA LEU A 61 10.157 7.251 -5.729 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.765 9.261 -6.644 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.537 9.002 -8.196 1.00 0.00 H new ATOM 0 HG LEU A 61 8.590 6.738 -8.357 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.977 5.905 -6.639 1.00 0.00 H new ATOM 0 HD12 LEU A 61 8.589 6.164 -5.931 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.292 7.351 -5.651 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.147 7.359 -8.437 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.492 8.795 -7.443 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.157 8.671 -9.089 1.00 0.00 H new ATOM 873 N ASN A 62 11.012 5.676 -7.293 1.00 0.00 N ATOM 874 CA ASN A 62 11.645 4.641 -8.144 1.00 0.00 C ATOM 875 C ASN A 62 10.596 4.027 -9.093 1.00 0.00 C ATOM 876 O ASN A 62 10.893 3.811 -10.245 1.00 0.00 O ATOM 877 CB ASN A 62 12.253 3.630 -7.163 1.00 0.00 C ATOM 878 CG ASN A 62 13.296 2.813 -7.889 1.00 0.00 C ATOM 879 OD1 ASN A 62 13.003 2.089 -8.819 1.00 0.00 O ATOM 880 ND2 ASN A 62 14.528 2.914 -7.490 1.00 0.00 N ATOM 0 H ASN A 62 10.469 5.312 -6.510 1.00 0.00 H new ATOM 0 HA ASN A 62 12.423 5.033 -8.799 1.00 0.00 H new ATOM 0 HB2 ASN A 62 12.702 4.149 -6.316 1.00 0.00 H new ATOM 0 HB3 ASN A 62 11.476 2.979 -6.762 1.00 0.00 H new ATOM 0 HD21 ASN A 62 15.261 2.382 -7.959 1.00 0.00 H new ATOM 0 HD22 ASN A 62 14.762 3.525 -6.708 1.00 0.00 H new ATOM 887 N LEU A 63 9.409 3.774 -8.591 1.00 0.00 N ATOM 888 CA LEU A 63 8.269 3.171 -9.397 1.00 0.00 C ATOM 889 C LEU A 63 8.570 1.737 -9.896 1.00 0.00 C ATOM 890 O LEU A 63 7.853 0.816 -9.553 1.00 0.00 O ATOM 891 CB LEU A 63 7.947 4.086 -10.628 1.00 0.00 C ATOM 892 CG LEU A 63 6.830 3.448 -11.514 1.00 0.00 C ATOM 893 CD1 LEU A 63 5.481 3.454 -10.778 1.00 0.00 C ATOM 894 CD2 LEU A 63 6.696 4.257 -12.819 1.00 0.00 C ATOM 0 H LEU A 63 9.165 3.965 -7.619 1.00 0.00 H new ATOM 0 HA LEU A 63 7.412 3.108 -8.726 1.00 0.00 H new ATOM 0 HB2 LEU A 63 7.627 5.069 -10.283 1.00 0.00 H new ATOM 0 HB3 LEU A 63 8.849 4.235 -11.222 1.00 0.00 H new ATOM 0 HG LEU A 63 7.105 2.416 -11.734 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.718 3.005 -11.414 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.568 2.881 -9.855 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.199 4.480 -10.543 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.918 3.816 -13.442 1.00 0.00 H new ATOM 0 HD22 LEU A 63 6.432 5.288 -12.583 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.644 4.240 -13.357 1.00 0.00 H new ATOM 906 N ASN A 64 9.604 1.559 -10.687 1.00 0.00 N ATOM 907 CA ASN A 64 9.991 0.194 -11.216 1.00 0.00 C ATOM 908 C ASN A 64 9.906 -0.746 -9.997 1.00 0.00 C ATOM 909 O ASN A 64 9.260 -1.776 -9.963 1.00 0.00 O ATOM 910 CB ASN A 64 11.440 0.247 -11.755 1.00 0.00 C ATOM 911 CG ASN A 64 11.629 1.502 -12.582 1.00 0.00 C ATOM 912 OD1 ASN A 64 12.258 2.487 -12.039 1.00 0.00 O flip ATOM 913 ND2 ASN A 64 11.213 1.614 -13.711 1.00 0.00 N flip ATOM 0 H ASN A 64 10.214 2.315 -10.999 1.00 0.00 H new ATOM 0 HA ASN A 64 9.348 -0.141 -12.030 1.00 0.00 H new ATOM 0 HB2 ASN A 64 12.148 0.236 -10.926 1.00 0.00 H new ATOM 0 HB3 ASN A 64 11.646 -0.635 -12.362 1.00 0.00 H new ATOM 0 HD21 ASN A 64 10.714 0.840 -14.150 1.00 0.00 H new ATOM 0 HD22 ASN A 64 11.361 2.482 -14.225 1.00 0.00 H new ATOM 920 N ASN A 65 10.611 -0.308 -8.991 1.00 0.00 N ATOM 921 CA ASN A 65 10.670 -1.044 -7.705 1.00 0.00 C ATOM 922 C ASN A 65 9.247 -1.372 -7.168 1.00 0.00 C ATOM 923 O ASN A 65 9.052 -2.476 -6.694 1.00 0.00 O ATOM 924 CB ASN A 65 11.562 -0.119 -6.819 1.00 0.00 C ATOM 925 CG ASN A 65 10.857 0.493 -5.642 1.00 0.00 C ATOM 926 OD1 ASN A 65 9.685 0.774 -5.628 1.00 0.00 O ATOM 927 ND2 ASN A 65 11.459 0.782 -4.564 1.00 0.00 N ATOM 0 H ASN A 65 11.161 0.551 -9.011 1.00 0.00 H new ATOM 0 HA ASN A 65 11.105 -2.042 -7.757 1.00 0.00 H new ATOM 0 HB2 ASN A 65 12.412 -0.696 -6.456 1.00 0.00 H new ATOM 0 HB3 ASN A 65 11.963 0.681 -7.441 1.00 0.00 H new ATOM 0 HD21 ASN A 65 10.947 1.210 -3.793 1.00 0.00 H new ATOM 0 HD22 ASN A 65 12.455 0.586 -4.468 1.00 0.00 H new ATOM 934 N ALA A 66 8.312 -0.461 -7.254 1.00 0.00 N ATOM 935 CA ALA A 66 6.936 -0.733 -6.752 1.00 0.00 C ATOM 936 C ALA A 66 6.390 -1.837 -7.670 1.00 0.00 C ATOM 937 O ALA A 66 5.846 -2.814 -7.197 1.00 0.00 O ATOM 938 CB ALA A 66 6.096 0.554 -6.854 1.00 0.00 C ATOM 0 H ALA A 66 8.446 0.467 -7.655 1.00 0.00 H new ATOM 0 HA ALA A 66 6.912 -1.045 -5.708 1.00 0.00 H new ATOM 0 HB1 ALA A 66 5.088 0.360 -6.488 1.00 0.00 H new ATOM 0 HB2 ALA A 66 6.556 1.338 -6.252 1.00 0.00 H new ATOM 0 HB3 ALA A 66 6.049 0.876 -7.894 1.00 0.00 H new ATOM 944 N ALA A 67 6.576 -1.650 -8.954 1.00 0.00 N ATOM 945 CA ALA A 67 6.102 -2.663 -9.953 1.00 0.00 C ATOM 946 C ALA A 67 6.755 -4.020 -9.623 1.00 0.00 C ATOM 947 O ALA A 67 6.299 -5.065 -10.036 1.00 0.00 O ATOM 948 CB ALA A 67 6.491 -2.173 -11.363 1.00 0.00 C ATOM 0 H ALA A 67 7.038 -0.835 -9.357 1.00 0.00 H new ATOM 0 HA ALA A 67 5.020 -2.786 -9.916 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.155 -2.897 -12.105 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.020 -1.209 -11.556 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.574 -2.066 -11.425 1.00 0.00 H new ATOM 954 N SER A 68 7.823 -3.956 -8.879 1.00 0.00 N ATOM 955 CA SER A 68 8.546 -5.194 -8.476 1.00 0.00 C ATOM 956 C SER A 68 7.990 -5.710 -7.147 1.00 0.00 C ATOM 957 O SER A 68 8.180 -6.887 -6.891 1.00 0.00 O ATOM 958 CB SER A 68 10.056 -4.895 -8.328 1.00 0.00 C ATOM 959 OG SER A 68 10.599 -6.029 -7.647 1.00 0.00 O ATOM 0 H SER A 68 8.230 -3.089 -8.529 1.00 0.00 H new ATOM 0 HA SER A 68 8.405 -5.955 -9.244 1.00 0.00 H new ATOM 0 HB2 SER A 68 10.527 -4.758 -9.301 1.00 0.00 H new ATOM 0 HB3 SER A 68 10.222 -3.979 -7.761 1.00 0.00 H new ATOM 0 HG SER A 68 9.892 -6.692 -7.500 1.00 0.00 H new ATOM 965 N ILE A 69 7.342 -4.893 -6.344 1.00 0.00 N ATOM 966 CA ILE A 69 6.809 -5.451 -5.041 1.00 0.00 C ATOM 967 C ILE A 69 5.963 -6.718 -5.317 1.00 0.00 C ATOM 968 O ILE A 69 6.293 -7.759 -4.783 1.00 0.00 O ATOM 969 CB ILE A 69 5.924 -4.374 -4.274 1.00 0.00 C ATOM 970 CG1 ILE A 69 6.776 -3.328 -3.497 1.00 0.00 C ATOM 971 CG2 ILE A 69 5.018 -5.091 -3.230 1.00 0.00 C ATOM 972 CD1 ILE A 69 5.933 -2.099 -3.305 1.00 0.00 C ATOM 0 H ILE A 69 7.161 -3.904 -6.517 1.00 0.00 H new ATOM 0 HA ILE A 69 7.660 -5.708 -4.410 1.00 0.00 H new ATOM 0 HB ILE A 69 5.344 -3.857 -5.038 1.00 0.00 H new ATOM 0 HG12 ILE A 69 7.089 -3.730 -2.534 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.683 -3.086 -4.052 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.412 -4.352 -2.705 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.365 -5.799 -3.740 1.00 0.00 H new ATOM 0 HG23 ILE A 69 5.642 -5.624 -2.513 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.505 -1.347 -2.762 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.642 -1.702 -4.277 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.039 -2.356 -2.736 1.00 0.00 H new ATOM 984 N PRO A 70 4.922 -6.649 -6.134 1.00 0.00 N ATOM 985 CA PRO A 70 3.930 -7.759 -6.205 1.00 0.00 C ATOM 986 C PRO A 70 4.614 -9.100 -6.394 1.00 0.00 C ATOM 987 O PRO A 70 4.321 -10.064 -5.714 1.00 0.00 O ATOM 988 CB PRO A 70 3.005 -7.357 -7.366 1.00 0.00 C ATOM 989 CG PRO A 70 3.092 -5.813 -7.349 1.00 0.00 C ATOM 990 CD PRO A 70 4.572 -5.545 -7.075 1.00 0.00 C ATOM 0 HA PRO A 70 3.361 -7.894 -5.285 1.00 0.00 H new ATOM 0 HB2 PRO A 70 3.343 -7.771 -8.316 1.00 0.00 H new ATOM 0 HB3 PRO A 70 1.984 -7.707 -7.211 1.00 0.00 H new ATOM 0 HG2 PRO A 70 2.775 -5.382 -8.299 1.00 0.00 H new ATOM 0 HG3 PRO A 70 2.456 -5.383 -6.575 1.00 0.00 H new ATOM 0 HD2 PRO A 70 5.168 -5.582 -7.987 1.00 0.00 H new ATOM 0 HD3 PRO A 70 4.733 -4.563 -6.629 1.00 0.00 H new ATOM 998 N SER A 71 5.530 -9.091 -7.317 1.00 0.00 N ATOM 999 CA SER A 71 6.272 -10.359 -7.594 1.00 0.00 C ATOM 1000 C SER A 71 7.183 -10.683 -6.405 1.00 0.00 C ATOM 1001 O SER A 71 7.063 -11.723 -5.786 1.00 0.00 O ATOM 1002 CB SER A 71 7.105 -10.188 -8.868 1.00 0.00 C ATOM 1003 OG SER A 71 7.975 -11.311 -8.803 1.00 0.00 O ATOM 0 H SER A 71 5.797 -8.285 -7.882 1.00 0.00 H new ATOM 0 HA SER A 71 5.568 -11.179 -7.736 1.00 0.00 H new ATOM 0 HB2 SER A 71 6.486 -10.202 -9.765 1.00 0.00 H new ATOM 0 HB3 SER A 71 7.654 -9.246 -8.874 1.00 0.00 H new ATOM 0 HG SER A 71 8.568 -11.311 -9.583 1.00 0.00 H new ATOM 1009 N LYS A 72 8.060 -9.769 -6.095 1.00 0.00 N ATOM 1010 CA LYS A 72 9.023 -9.937 -4.971 1.00 0.00 C ATOM 1011 C LYS A 72 8.392 -10.547 -3.702 1.00 0.00 C ATOM 1012 O LYS A 72 8.981 -11.367 -3.026 1.00 0.00 O ATOM 1013 CB LYS A 72 9.555 -8.555 -4.736 1.00 0.00 C ATOM 1014 CG LYS A 72 10.722 -8.517 -3.754 1.00 0.00 C ATOM 1015 CD LYS A 72 10.779 -7.062 -3.228 1.00 0.00 C ATOM 1016 CE LYS A 72 10.794 -6.002 -4.328 1.00 0.00 C ATOM 1017 NZ LYS A 72 11.936 -6.218 -5.257 1.00 0.00 N ATOM 0 H LYS A 72 8.151 -8.883 -6.592 1.00 0.00 H new ATOM 0 HA LYS A 72 9.807 -10.652 -5.222 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.875 -8.130 -5.687 1.00 0.00 H new ATOM 0 HB3 LYS A 72 8.751 -7.923 -4.359 1.00 0.00 H new ATOM 0 HG2 LYS A 72 10.570 -9.223 -2.938 1.00 0.00 H new ATOM 0 HG3 LYS A 72 11.656 -8.793 -4.244 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.919 -6.887 -2.581 1.00 0.00 H new ATOM 0 HD3 LYS A 72 11.671 -6.944 -2.612 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.857 -6.035 -4.883 1.00 0.00 H new ATOM 0 HE3 LYS A 72 10.865 -5.010 -3.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 12.467 -5.330 -5.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 12.564 -6.951 -4.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 11.577 -6.523 -6.184 1.00 0.00 H new ATOM 1031 N CYS A 73 7.197 -10.096 -3.452 1.00 0.00 N ATOM 1032 CA CYS A 73 6.419 -10.543 -2.270 1.00 0.00 C ATOM 1033 C CYS A 73 5.369 -11.689 -2.427 1.00 0.00 C ATOM 1034 O CYS A 73 4.598 -11.944 -1.520 1.00 0.00 O ATOM 1035 CB CYS A 73 5.852 -9.210 -1.801 1.00 0.00 C ATOM 1036 SG CYS A 73 7.058 -7.873 -1.571 1.00 0.00 S ATOM 0 H CYS A 73 6.714 -9.415 -4.038 1.00 0.00 H new ATOM 0 HA CYS A 73 7.048 -11.078 -1.558 1.00 0.00 H new ATOM 0 HB2 CYS A 73 5.106 -8.880 -2.524 1.00 0.00 H new ATOM 0 HB3 CYS A 73 5.332 -9.370 -0.857 1.00 0.00 H new ATOM 1041 N ASN A 74 5.341 -12.366 -3.549 1.00 0.00 N ATOM 1042 CA ASN A 74 4.361 -13.499 -3.781 1.00 0.00 C ATOM 1043 C ASN A 74 2.897 -13.110 -3.451 1.00 0.00 C ATOM 1044 O ASN A 74 2.052 -13.910 -3.111 1.00 0.00 O ATOM 1045 CB ASN A 74 4.902 -14.716 -2.909 1.00 0.00 C ATOM 1046 CG ASN A 74 4.008 -15.964 -2.867 1.00 0.00 C ATOM 1047 OD1 ASN A 74 3.094 -16.092 -2.077 1.00 0.00 O ATOM 1048 ND2 ASN A 74 4.229 -16.930 -3.699 1.00 0.00 N ATOM 0 H ASN A 74 5.965 -12.185 -4.336 1.00 0.00 H new ATOM 0 HA ASN A 74 4.312 -13.769 -4.836 1.00 0.00 H new ATOM 0 HB2 ASN A 74 5.880 -15.006 -3.294 1.00 0.00 H new ATOM 0 HB3 ASN A 74 5.052 -14.367 -1.888 1.00 0.00 H new ATOM 0 HD21 ASN A 74 3.644 -17.765 -3.678 1.00 0.00 H new ATOM 0 HD22 ASN A 74 4.988 -16.856 -4.376 1.00 0.00 H new ATOM 1055 N VAL A 75 2.629 -11.850 -3.615 1.00 0.00 N ATOM 1056 CA VAL A 75 1.264 -11.253 -3.349 1.00 0.00 C ATOM 1057 C VAL A 75 0.741 -11.127 -4.788 1.00 0.00 C ATOM 1058 O VAL A 75 0.353 -10.080 -5.248 1.00 0.00 O ATOM 1059 CB VAL A 75 1.492 -9.864 -2.589 1.00 0.00 C ATOM 1060 CG1 VAL A 75 2.513 -9.060 -3.356 1.00 0.00 C ATOM 1061 CG2 VAL A 75 0.278 -8.968 -2.429 1.00 0.00 C ATOM 0 H VAL A 75 3.318 -11.170 -3.935 1.00 0.00 H new ATOM 0 HA VAL A 75 0.567 -11.804 -2.718 1.00 0.00 H new ATOM 0 HB VAL A 75 1.797 -10.156 -1.584 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.681 -8.109 -2.851 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.450 -9.615 -3.406 1.00 0.00 H new ATOM 0 HG13 VAL A 75 2.147 -8.875 -4.366 1.00 0.00 H new ATOM 0 HG21 VAL A 75 0.564 -8.060 -1.899 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.113 -8.707 -3.412 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -0.490 -9.493 -1.861 1.00 0.00 H new ATOM 1071 N ASN A 76 0.782 -12.268 -5.429 1.00 0.00 N ATOM 1072 CA ASN A 76 0.359 -12.495 -6.855 1.00 0.00 C ATOM 1073 C ASN A 76 -0.788 -11.664 -7.525 1.00 0.00 C ATOM 1074 O ASN A 76 -1.699 -12.231 -8.102 1.00 0.00 O ATOM 1075 CB ASN A 76 0.065 -14.019 -6.941 1.00 0.00 C ATOM 1076 CG ASN A 76 -1.017 -14.419 -5.955 1.00 0.00 C ATOM 1077 OD1 ASN A 76 -0.781 -14.955 -4.895 1.00 0.00 O ATOM 1078 ND2 ASN A 76 -2.251 -14.184 -6.238 1.00 0.00 N ATOM 0 H ASN A 76 1.120 -13.121 -4.984 1.00 0.00 H new ATOM 0 HA ASN A 76 1.184 -12.109 -7.454 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -0.247 -14.277 -7.953 1.00 0.00 H new ATOM 0 HB3 ASN A 76 0.976 -14.581 -6.735 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -2.984 -14.448 -5.580 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -2.495 -13.734 -7.120 1.00 0.00 H new ATOM 1085 N VAL A 77 -0.735 -10.362 -7.450 1.00 0.00 N ATOM 1086 CA VAL A 77 -1.780 -9.480 -8.061 1.00 0.00 C ATOM 1087 C VAL A 77 -1.159 -8.227 -8.759 1.00 0.00 C ATOM 1088 O VAL A 77 -0.239 -7.631 -8.230 1.00 0.00 O ATOM 1089 CB VAL A 77 -2.754 -9.068 -6.924 1.00 0.00 C ATOM 1090 CG1 VAL A 77 -2.058 -8.183 -5.851 1.00 0.00 C ATOM 1091 CG2 VAL A 77 -3.944 -8.303 -7.504 1.00 0.00 C ATOM 0 H VAL A 77 0.012 -9.854 -6.976 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.309 -10.021 -8.846 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.092 -9.986 -6.443 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.777 -7.919 -5.075 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.230 -8.735 -5.406 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.679 -7.275 -6.319 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.621 -8.019 -6.699 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.588 -7.407 -8.012 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -4.473 -8.937 -8.215 1.00 0.00 H new ATOM 1101 N PRO A 78 -1.668 -7.854 -9.916 1.00 0.00 N ATOM 1102 CA PRO A 78 -1.399 -6.525 -10.535 1.00 0.00 C ATOM 1103 C PRO A 78 -2.396 -5.456 -10.012 1.00 0.00 C ATOM 1104 O PRO A 78 -3.243 -4.967 -10.737 1.00 0.00 O ATOM 1105 CB PRO A 78 -1.517 -6.838 -12.018 1.00 0.00 C ATOM 1106 CG PRO A 78 -2.761 -7.772 -12.030 1.00 0.00 C ATOM 1107 CD PRO A 78 -2.551 -8.689 -10.794 1.00 0.00 C ATOM 0 HA PRO A 78 -0.431 -6.085 -10.295 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -1.670 -5.941 -12.617 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -0.627 -7.333 -12.407 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -3.688 -7.204 -11.953 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -2.817 -8.351 -12.952 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -3.494 -8.934 -10.305 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -2.078 -9.633 -11.065 1.00 0.00 H new ATOM 1115 N TYR A 79 -2.262 -5.120 -8.757 1.00 0.00 N ATOM 1116 CA TYR A 79 -3.190 -4.092 -8.170 1.00 0.00 C ATOM 1117 C TYR A 79 -2.464 -2.747 -7.926 1.00 0.00 C ATOM 1118 O TYR A 79 -1.364 -2.709 -7.405 1.00 0.00 O ATOM 1119 CB TYR A 79 -3.773 -4.689 -6.836 1.00 0.00 C ATOM 1120 CG TYR A 79 -3.899 -3.565 -5.805 1.00 0.00 C ATOM 1121 CD1 TYR A 79 -2.774 -3.307 -5.051 1.00 0.00 C ATOM 1122 CD2 TYR A 79 -5.030 -2.792 -5.618 1.00 0.00 C ATOM 1123 CE1 TYR A 79 -2.734 -2.305 -4.120 1.00 0.00 C ATOM 1124 CE2 TYR A 79 -4.983 -1.798 -4.686 1.00 0.00 C ATOM 1125 CZ TYR A 79 -3.857 -1.549 -3.946 1.00 0.00 C ATOM 1126 OH TYR A 79 -3.867 -0.518 -3.055 1.00 0.00 O ATOM 0 H TYR A 79 -1.565 -5.501 -8.117 1.00 0.00 H new ATOM 0 HA TYR A 79 -4.000 -3.873 -8.866 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -4.747 -5.143 -7.020 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -3.120 -5.476 -6.458 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -1.895 -3.916 -5.200 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -5.926 -2.971 -6.194 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -1.842 -2.118 -3.541 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -5.860 -1.188 -4.526 1.00 0.00 H new ATOM 0 HH TYR A 79 -4.777 -0.164 -2.975 1.00 0.00 H new ATOM 1136 N THR A 80 -3.133 -1.681 -8.307 1.00 0.00 N ATOM 1137 CA THR A 80 -2.612 -0.269 -8.160 1.00 0.00 C ATOM 1138 C THR A 80 -1.423 0.177 -9.016 1.00 0.00 C ATOM 1139 O THR A 80 -1.576 0.954 -9.949 1.00 0.00 O ATOM 1140 CB THR A 80 -2.206 -0.004 -6.690 1.00 0.00 C ATOM 1141 OG1 THR A 80 -3.457 0.222 -6.056 1.00 0.00 O ATOM 1142 CG2 THR A 80 -1.489 1.324 -6.481 1.00 0.00 C ATOM 0 H THR A 80 -4.059 -1.730 -8.732 1.00 0.00 H new ATOM 0 HA THR A 80 -3.463 0.309 -8.520 1.00 0.00 H new ATOM 0 HB THR A 80 -1.569 -0.818 -6.343 1.00 0.00 H new ATOM 0 HG1 THR A 80 -3.748 -0.598 -5.604 1.00 0.00 H new ATOM 0 HG21 THR A 80 -1.236 1.439 -5.427 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.577 1.343 -7.077 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.141 2.142 -6.789 1.00 0.00 H new ATOM 1150 N ILE A 81 -0.319 -0.387 -8.589 1.00 0.00 N ATOM 1151 CA ILE A 81 1.076 -0.221 -9.113 1.00 0.00 C ATOM 1152 C ILE A 81 1.300 1.024 -10.025 1.00 0.00 C ATOM 1153 O ILE A 81 1.991 0.937 -11.019 1.00 0.00 O ATOM 1154 CB ILE A 81 1.405 -1.524 -9.869 1.00 0.00 C ATOM 1155 CG1 ILE A 81 0.947 -2.825 -9.170 1.00 0.00 C ATOM 1156 CG2 ILE A 81 2.938 -1.639 -10.065 1.00 0.00 C ATOM 1157 CD1 ILE A 81 1.472 -3.018 -7.724 1.00 0.00 C ATOM 0 H ILE A 81 -0.341 -1.034 -7.801 1.00 0.00 H new ATOM 0 HA ILE A 81 1.742 -0.038 -8.270 1.00 0.00 H new ATOM 0 HB ILE A 81 0.854 -1.443 -10.806 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.143 -2.843 -9.149 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.268 -3.675 -9.772 1.00 0.00 H new ATOM 0 HG21 ILE A 81 3.168 -2.561 -10.599 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.296 -0.786 -10.641 1.00 0.00 H new ATOM 0 HG23 ILE A 81 3.429 -1.651 -9.092 1.00 0.00 H new ATOM 0 HD11 ILE A 81 1.095 -3.959 -7.323 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.562 -3.038 -7.732 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.129 -2.193 -7.099 1.00 0.00 H new ATOM 1169 N SER A 82 0.732 2.160 -9.694 1.00 0.00 N ATOM 1170 CA SER A 82 0.960 3.356 -10.590 1.00 0.00 C ATOM 1171 C SER A 82 1.451 4.684 -9.957 1.00 0.00 C ATOM 1172 O SER A 82 1.020 5.039 -8.880 1.00 0.00 O ATOM 1173 CB SER A 82 -0.345 3.615 -11.356 1.00 0.00 C ATOM 1174 OG SER A 82 -0.551 2.412 -12.103 1.00 0.00 O ATOM 0 H SER A 82 0.142 2.317 -8.877 1.00 0.00 H new ATOM 0 HA SER A 82 1.807 3.066 -11.212 1.00 0.00 H new ATOM 0 HB2 SER A 82 -1.175 3.810 -10.677 1.00 0.00 H new ATOM 0 HB3 SER A 82 -0.258 4.482 -12.011 1.00 0.00 H new ATOM 0 HG SER A 82 -0.954 1.732 -11.524 1.00 0.00 H new ATOM 1180 N PRO A 83 2.326 5.402 -10.641 1.00 0.00 N ATOM 1181 CA PRO A 83 3.084 6.556 -10.037 1.00 0.00 C ATOM 1182 C PRO A 83 2.219 7.593 -9.266 1.00 0.00 C ATOM 1183 O PRO A 83 2.381 7.801 -8.079 1.00 0.00 O ATOM 1184 CB PRO A 83 3.851 7.129 -11.266 1.00 0.00 C ATOM 1185 CG PRO A 83 3.025 6.644 -12.490 1.00 0.00 C ATOM 1186 CD PRO A 83 2.674 5.210 -12.084 1.00 0.00 C ATOM 0 HA PRO A 83 3.745 6.243 -9.229 1.00 0.00 H new ATOM 0 HB2 PRO A 83 3.907 8.217 -11.229 1.00 0.00 H new ATOM 0 HB3 PRO A 83 4.875 6.758 -11.305 1.00 0.00 H new ATOM 0 HG2 PRO A 83 2.135 7.253 -12.650 1.00 0.00 H new ATOM 0 HG3 PRO A 83 3.604 6.677 -13.413 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.840 4.810 -12.660 1.00 0.00 H new ATOM 0 HD3 PRO A 83 3.512 4.526 -12.219 1.00 0.00 H new ATOM 1194 N ASP A 84 1.316 8.211 -9.975 1.00 0.00 N ATOM 1195 CA ASP A 84 0.400 9.238 -9.379 1.00 0.00 C ATOM 1196 C ASP A 84 -1.002 8.577 -9.378 1.00 0.00 C ATOM 1197 O ASP A 84 -2.015 9.113 -9.770 1.00 0.00 O ATOM 1198 CB ASP A 84 0.523 10.478 -10.294 1.00 0.00 C ATOM 1199 CG ASP A 84 -0.075 11.681 -9.594 1.00 0.00 C ATOM 1200 OD1 ASP A 84 -1.281 11.826 -9.514 1.00 0.00 O ATOM 1201 OD2 ASP A 84 0.729 12.459 -9.111 1.00 0.00 O ATOM 0 H ASP A 84 1.167 8.046 -10.970 1.00 0.00 H new ATOM 0 HA ASP A 84 0.621 9.557 -8.360 1.00 0.00 H new ATOM 0 HB2 ASP A 84 1.570 10.665 -10.532 1.00 0.00 H new ATOM 0 HB3 ASP A 84 0.008 10.300 -11.238 1.00 0.00 H new ATOM 1206 N ILE A 85 -0.950 7.360 -8.919 1.00 0.00 N ATOM 1207 CA ILE A 85 -2.137 6.454 -8.794 1.00 0.00 C ATOM 1208 C ILE A 85 -3.589 6.996 -8.641 1.00 0.00 C ATOM 1209 O ILE A 85 -3.925 7.823 -7.818 1.00 0.00 O ATOM 1210 CB ILE A 85 -1.837 5.483 -7.610 1.00 0.00 C ATOM 1211 CG1 ILE A 85 -2.952 4.448 -7.394 1.00 0.00 C ATOM 1212 CG2 ILE A 85 -1.683 6.251 -6.314 1.00 0.00 C ATOM 1213 CD1 ILE A 85 -2.987 3.463 -8.567 1.00 0.00 C ATOM 0 H ILE A 85 -0.081 6.928 -8.606 1.00 0.00 H new ATOM 0 HA ILE A 85 -2.204 6.027 -9.795 1.00 0.00 H new ATOM 0 HB ILE A 85 -0.915 4.968 -7.878 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -2.784 3.910 -6.461 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -3.914 4.952 -7.302 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -1.474 5.555 -5.501 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -0.859 6.959 -6.406 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -2.604 6.793 -6.100 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -3.780 2.733 -8.406 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.177 4.006 -9.493 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.029 2.948 -8.638 1.00 0.00 H new ATOM 1225 N ASP A 86 -4.403 6.439 -9.493 1.00 0.00 N ATOM 1226 CA ASP A 86 -5.858 6.739 -9.571 1.00 0.00 C ATOM 1227 C ASP A 86 -6.556 5.584 -8.821 1.00 0.00 C ATOM 1228 O ASP A 86 -6.123 4.447 -8.934 1.00 0.00 O ATOM 1229 CB ASP A 86 -6.279 6.782 -11.055 1.00 0.00 C ATOM 1230 CG ASP A 86 -6.932 8.130 -11.309 1.00 0.00 C ATOM 1231 OD1 ASP A 86 -6.222 9.081 -11.564 1.00 0.00 O ATOM 1232 OD2 ASP A 86 -8.144 8.098 -11.214 1.00 0.00 O ATOM 0 H ASP A 86 -4.097 5.747 -10.177 1.00 0.00 H new ATOM 0 HA ASP A 86 -6.122 7.700 -9.130 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -5.413 6.648 -11.703 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -6.973 5.972 -11.280 1.00 0.00 H new ATOM 1237 N CYS A 87 -7.607 5.902 -8.121 1.00 0.00 N ATOM 1238 CA CYS A 87 -8.322 4.845 -7.360 1.00 0.00 C ATOM 1239 C CYS A 87 -9.584 4.283 -8.038 1.00 0.00 C ATOM 1240 O CYS A 87 -10.430 3.766 -7.350 1.00 0.00 O ATOM 1241 CB CYS A 87 -8.621 5.492 -5.972 1.00 0.00 C ATOM 1242 SG CYS A 87 -7.288 6.493 -5.270 1.00 0.00 S ATOM 0 H CYS A 87 -7.999 6.841 -8.043 1.00 0.00 H new ATOM 0 HA CYS A 87 -7.700 3.953 -7.286 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -9.509 6.117 -6.067 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -8.864 4.698 -5.266 1.00 0.00 H new ATOM 1247 N SER A 88 -9.728 4.334 -9.339 1.00 0.00 N ATOM 1248 CA SER A 88 -10.995 3.764 -9.960 1.00 0.00 C ATOM 1249 C SER A 88 -10.777 2.455 -10.749 1.00 0.00 C ATOM 1250 O SER A 88 -11.698 1.879 -11.295 1.00 0.00 O ATOM 1251 CB SER A 88 -11.597 4.823 -10.894 1.00 0.00 C ATOM 1252 OG SER A 88 -12.844 4.243 -11.258 1.00 0.00 O ATOM 0 H SER A 88 -9.053 4.730 -9.993 1.00 0.00 H new ATOM 0 HA SER A 88 -11.666 3.514 -9.139 1.00 0.00 H new ATOM 0 HB2 SER A 88 -11.727 5.781 -10.390 1.00 0.00 H new ATOM 0 HB3 SER A 88 -10.965 5.003 -11.763 1.00 0.00 H new ATOM 0 HG SER A 88 -12.804 3.273 -11.127 1.00 0.00 H new ATOM 1258 N ARG A 89 -9.546 2.032 -10.776 1.00 0.00 N ATOM 1259 CA ARG A 89 -9.141 0.777 -11.499 1.00 0.00 C ATOM 1260 C ARG A 89 -8.379 -0.205 -10.568 1.00 0.00 C ATOM 1261 O ARG A 89 -7.249 -0.586 -10.796 1.00 0.00 O ATOM 1262 CB ARG A 89 -8.268 1.200 -12.716 1.00 0.00 C ATOM 1263 CG ARG A 89 -7.176 2.181 -12.229 1.00 0.00 C ATOM 1264 CD ARG A 89 -6.094 2.356 -13.271 1.00 0.00 C ATOM 1265 NE ARG A 89 -5.134 3.303 -12.618 1.00 0.00 N ATOM 1266 CZ ARG A 89 -3.979 2.896 -12.253 1.00 0.00 C ATOM 1267 NH1 ARG A 89 -3.926 2.331 -11.112 1.00 0.00 N ATOM 1268 NH2 ARG A 89 -2.996 3.071 -13.037 1.00 0.00 N ATOM 0 H ARG A 89 -8.774 2.514 -10.315 1.00 0.00 H new ATOM 0 HA ARG A 89 -10.027 0.240 -11.837 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -7.810 0.324 -13.175 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -8.887 1.673 -13.478 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -7.626 3.147 -12.003 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -6.736 1.810 -11.303 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -5.617 1.408 -13.519 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -6.493 2.764 -14.200 1.00 0.00 H new ATOM 0 HE ARG A 89 -5.403 4.275 -12.464 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -4.774 2.228 -10.554 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -3.036 1.981 -10.757 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -3.137 3.529 -13.938 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -2.065 2.754 -12.766 1.00 0.00 H new ATOM 1282 N ILE A 90 -9.062 -0.557 -9.517 1.00 0.00 N ATOM 1283 CA ILE A 90 -8.558 -1.506 -8.458 1.00 0.00 C ATOM 1284 C ILE A 90 -9.515 -2.725 -8.329 1.00 0.00 C ATOM 1285 O ILE A 90 -10.445 -2.845 -9.108 1.00 0.00 O ATOM 1286 CB ILE A 90 -8.471 -0.625 -7.222 1.00 0.00 C ATOM 1287 CG1 ILE A 90 -7.348 0.411 -7.430 1.00 0.00 C ATOM 1288 CG2 ILE A 90 -8.423 -1.336 -5.889 1.00 0.00 C ATOM 1289 CD1 ILE A 90 -6.074 0.053 -6.793 1.00 0.00 C ATOM 0 H ILE A 90 -10.003 -0.210 -9.331 1.00 0.00 H new ATOM 0 HA ILE A 90 -7.592 -1.966 -8.668 1.00 0.00 H new ATOM 0 HB ILE A 90 -9.428 -0.110 -7.132 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -7.183 0.541 -8.499 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.679 1.373 -7.039 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -8.362 -0.601 -5.087 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -9.324 -1.936 -5.764 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -7.548 -1.985 -5.854 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.338 0.833 -6.987 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -6.221 -0.048 -5.718 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.716 -0.892 -7.201 1.00 0.00 H new ATOM 1301 N TYR A 91 -9.260 -3.573 -7.365 1.00 0.00 N ATOM 1302 CA TYR A 91 -10.104 -4.790 -7.132 1.00 0.00 C ATOM 1303 C TYR A 91 -10.638 -4.712 -5.699 1.00 0.00 C ATOM 1304 O TYR A 91 -11.833 -4.843 -5.525 1.00 0.00 O ATOM 1305 CB TYR A 91 -9.270 -6.071 -7.252 1.00 0.00 C ATOM 1306 CG TYR A 91 -8.532 -6.141 -8.586 1.00 0.00 C ATOM 1307 CD1 TYR A 91 -9.200 -6.440 -9.754 1.00 0.00 C ATOM 1308 CD2 TYR A 91 -7.177 -5.908 -8.628 1.00 0.00 C ATOM 1309 CE1 TYR A 91 -8.515 -6.507 -10.951 1.00 0.00 C ATOM 1310 CE2 TYR A 91 -6.495 -5.974 -9.826 1.00 0.00 C ATOM 1311 CZ TYR A 91 -7.158 -6.272 -10.987 1.00 0.00 C ATOM 1312 OH TYR A 91 -6.447 -6.333 -12.165 1.00 0.00 O ATOM 1313 OXT TYR A 91 -9.803 -4.530 -4.831 1.00 0.00 O ATOM 0 H TYR A 91 -8.483 -3.472 -6.712 1.00 0.00 H new ATOM 0 HA TYR A 91 -10.903 -4.819 -7.872 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -8.550 -6.114 -6.435 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -9.920 -6.940 -7.150 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -10.264 -6.623 -9.733 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -6.644 -5.672 -7.719 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -9.045 -6.744 -11.862 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -5.431 -5.789 -9.848 1.00 0.00 H new ATOM 0 HH TYR A 91 -5.570 -5.914 -12.040 1.00 0.00 H new TER 1323 TYR A 91 HETATM 1324 N1A COA A 92 -2.559 12.262 6.800 1.00 0.00 N HETATM 1325 C2A COA A 92 -3.400 12.493 7.813 1.00 0.00 C HETATM 1326 N3A COA A 92 -4.449 11.747 8.171 1.00 0.00 N HETATM 1327 C4A COA A 92 -4.616 10.653 7.376 1.00 0.00 C HETATM 1328 C5A COA A 92 -3.832 10.296 6.309 1.00 0.00 C HETATM 1329 C6A COA A 92 -2.756 11.168 6.034 1.00 0.00 C HETATM 1330 N6A COA A 92 -1.899 10.963 5.044 1.00 0.00 N HETATM 1331 N7A COA A 92 -4.291 9.119 5.728 1.00 0.00 N HETATM 1332 C8A COA A 92 -5.325 8.815 6.463 1.00 0.00 C HETATM 1333 N9A COA A 92 -5.590 9.689 7.479 1.00 0.00 N HETATM 1334 C1B COA A 92 -6.681 9.624 8.482 1.00 0.00 C HETATM 1335 C2B COA A 92 -6.860 8.190 9.002 1.00 0.00 C HETATM 1336 O2B COA A 92 -7.967 7.503 8.397 1.00 0.00 O HETATM 1337 C3B COA A 92 -7.214 8.434 10.455 1.00 0.00 C HETATM 1338 O3B COA A 92 -8.542 8.936 10.602 1.00 0.00 O HETATM 1339 P3B COA A 92 -9.801 8.076 11.089 1.00 0.00 P HETATM 1340 O7A COA A 92 -9.698 7.887 12.545 1.00 0.00 O HETATM 1341 O8A COA A 92 -10.868 8.960 10.599 1.00 0.00 O HETATM 1342 O9A COA A 92 -9.687 6.891 10.208 1.00 0.00 O HETATM 1343 C4B COA A 92 -6.249 9.551 10.780 1.00 0.00 C HETATM 1344 O4B COA A 92 -6.317 10.418 9.630 1.00 0.00 O HETATM 1345 C5B COA A 92 -4.823 9.004 10.954 1.00 0.00 C HETATM 1346 O5B COA A 92 -4.796 7.882 11.867 1.00 0.00 O HETATM 1347 P1A COA A 92 -4.561 6.371 11.338 1.00 0.00 P HETATM 1348 O1A COA A 92 -4.090 5.496 12.434 1.00 0.00 O HETATM 1349 O2A COA A 92 -5.696 5.901 10.521 1.00 0.00 O HETATM 1350 O3A COA A 92 -3.425 6.649 10.297 1.00 0.00 O HETATM 1351 P2A COA A 92 -2.007 6.824 10.915 1.00 0.00 P HETATM 1352 O4A COA A 92 -2.064 7.535 12.211 1.00 0.00 O HETATM 1353 O5A COA A 92 -1.382 5.489 10.819 1.00 0.00 O HETATM 1354 O6A COA A 92 -1.192 7.825 9.912 1.00 0.00 O HETATM 1355 CBP COA A 92 -0.364 7.828 7.551 1.00 0.00 C HETATM 1356 CCP COA A 92 -1.553 7.963 8.523 1.00 0.00 C HETATM 1357 CDP COA A 92 -0.937 7.967 6.179 1.00 0.00 C HETATM 1358 CEP COA A 92 0.260 6.443 7.630 1.00 0.00 C HETATM 1359 CAP COA A 92 0.692 8.938 7.793 1.00 0.00 C HETATM 1360 OAP COA A 92 1.117 8.783 9.150 1.00 0.00 O HETATM 1361 C9P COA A 92 1.829 8.889 6.758 1.00 0.00 C HETATM 1362 O9P COA A 92 1.892 9.716 5.872 1.00 0.00 O HETATM 1363 N8P COA A 92 2.670 7.904 6.895 1.00 0.00 N HETATM 1364 C7P COA A 92 3.852 7.689 5.995 1.00 0.00 C HETATM 1365 C6P COA A 92 3.774 6.305 5.295 1.00 0.00 C HETATM 1366 C5P COA A 92 2.754 6.295 4.160 1.00 0.00 C HETATM 1367 O5P COA A 92 2.018 7.230 3.937 1.00 0.00 O HETATM 1368 N4P COA A 92 2.738 5.207 3.433 1.00 0.00 N HETATM 1369 C3P COA A 92 1.777 5.092 2.292 1.00 0.00 C HETATM 1370 C2P COA A 92 1.037 3.824 2.464 1.00 0.00 C HETATM 1371 S1P COA A 92 1.886 2.249 2.157 1.00 0.00 S HETATM 0 HO2A COA A 92 -8.414 6.947 9.069 1.00 0.00 H new HETATM 0 H62A COA A 92 -2.006 10.150 4.437 1.00 0.00 H new HETATM 0 H61A COA A 92 -1.133 11.618 4.889 1.00 0.00 H new HETATM 0 H52A COA A 92 -4.429 8.696 9.985 1.00 0.00 H new HETATM 0 H51A COA A 92 -4.171 9.794 11.327 1.00 0.00 H new HETATM 0 H143 COA A 92 0.619 6.263 8.643 1.00 0.00 H new HETATM 0 H142 COA A 92 -0.486 5.692 7.371 1.00 0.00 H new HETATM 0 H141 COA A 92 1.095 6.380 6.933 1.00 0.00 H new HETATM 0 H133 COA A 92 -1.674 7.182 6.011 1.00 0.00 H new HETATM 0 H132 COA A 92 -1.416 8.941 6.082 1.00 0.00 H new HETATM 0 H131 COA A 92 -0.139 7.880 5.441 1.00 0.00 H new HETATM 0 H122 COA A 92 -2.299 7.208 8.275 1.00 0.00 H new HETATM 0 H121 COA A 92 -2.022 8.936 8.375 1.00 0.00 H new HETATM 0 HO1 COA A 92 0.512 8.167 9.614 1.00 0.00 H new HETATM 0 HN8 COA A 92 2.517 7.242 7.656 1.00 0.00 H new HETATM 0 HN4 COA A 92 3.378 4.441 3.643 1.00 0.00 H new HETATM 0 H8A COA A 92 -5.933 7.929 6.280 1.00 0.00 H new HETATM 0 H72 COA A 92 3.890 8.478 5.244 1.00 0.00 H new HETATM 0 H71 COA A 92 4.772 7.756 6.575 1.00 0.00 H new HETATM 0 H62 COA A 92 4.756 6.042 4.902 1.00 0.00 H new HETATM 0 H61 COA A 92 3.509 5.543 6.028 1.00 0.00 H new HETATM 0 H4B COA A 92 -6.499 10.061 11.710 1.00 0.00 H new HETATM 0 H3B COA A 92 -7.158 7.538 11.073 1.00 0.00 H new HETATM 0 H32 COA A 92 1.091 5.939 2.281 1.00 0.00 H new HETATM 0 H31 COA A 92 2.308 5.100 1.340 1.00 0.00 H new HETATM 0 H2B COA A 92 -5.980 7.579 8.804 1.00 0.00 H new HETATM 0 H2A COA A 92 -3.210 13.385 8.410 1.00 0.00 H new HETATM 0 H22 COA A 92 0.663 3.800 3.487 1.00 0.00 H new HETATM 0 H21 COA A 92 0.168 3.861 1.807 1.00 0.00 H new HETATM 0 H1B COA A 92 -7.593 9.979 8.002 1.00 0.00 H new HETATM 0 H10 COA A 92 0.277 9.936 7.653 1.00 0.00 H new HETATM 1403 C1 PLM A 96 0.759 1.570 0.906 1.00 0.00 C HETATM 1404 O2 PLM A 96 -0.339 2.019 0.639 1.00 0.00 O HETATM 1405 C2 PLM A 96 1.287 0.347 0.154 1.00 0.00 C HETATM 1406 C3 PLM A 96 1.823 0.773 -1.182 1.00 0.00 C HETATM 1407 C4 PLM A 96 2.618 -0.221 -1.998 1.00 0.00 C HETATM 1408 C5 PLM A 96 2.625 0.450 -3.413 1.00 0.00 C HETATM 1409 C6 PLM A 96 3.304 -0.409 -4.489 1.00 0.00 C HETATM 1410 C7 PLM A 96 2.808 -1.877 -4.484 1.00 0.00 C HETATM 1411 C8 PLM A 96 1.252 -1.901 -4.457 1.00 0.00 C HETATM 1412 C9 PLM A 96 0.663 -3.319 -4.637 1.00 0.00 C HETATM 1413 CA PLM A 96 1.608 -4.460 -4.166 1.00 0.00 C HETATM 1414 CB PLM A 96 0.902 -5.840 -4.366 1.00 0.00 C HETATM 1415 CC PLM A 96 -0.464 -5.869 -3.616 1.00 0.00 C HETATM 1416 CD PLM A 96 -0.225 -5.447 -2.161 1.00 0.00 C HETATM 1417 CE PLM A 96 -1.442 -5.734 -1.323 1.00 0.00 C HETATM 1418 CF PLM A 96 -2.447 -4.617 -1.507 1.00 0.00 C HETATM 1419 CG PLM A 96 -3.690 -5.042 -0.766 1.00 0.00 C HETATM 0 HG3 PLM A 96 -4.062 -5.977 -1.186 1.00 0.00 H new HETATM 0 HG2 PLM A 96 -3.454 -5.186 0.288 1.00 0.00 H new HETATM 0 HG1 PLM A 96 -4.454 -4.271 -0.864 1.00 0.00 H new HETATM 0 HF2 PLM A 96 -2.061 -3.677 -1.112 1.00 0.00 H new HETATM 0 HF1 PLM A 96 -2.660 -4.455 -2.564 1.00 0.00 H new HETATM 0 HE2 PLM A 96 -1.882 -6.687 -1.614 1.00 0.00 H new HETATM 0 HE1 PLM A 96 -1.163 -5.819 -0.273 1.00 0.00 H new HETATM 0 HD2 PLM A 96 0.636 -5.981 -1.758 1.00 0.00 H new HETATM 0 HD1 PLM A 96 0.011 -4.384 -2.118 1.00 0.00 H new HETATM 0 HC2 PLM A 96 -1.174 -5.195 -4.095 1.00 0.00 H new HETATM 0 HC1 PLM A 96 -0.897 -6.868 -3.655 1.00 0.00 H new HETATM 0 HB2 PLM A 96 0.744 -6.023 -5.429 1.00 0.00 H new HETATM 0 HB1 PLM A 96 1.543 -6.640 -3.996 1.00 0.00 H new HETATM 0 HA2 PLM A 96 2.540 -4.431 -4.731 1.00 0.00 H new HETATM 0 HA1 PLM A 96 1.867 -4.321 -3.116 1.00 0.00 H new HETATM 0 H92 PLM A 96 -0.274 -3.385 -4.084 1.00 0.00 H new HETATM 0 H91 PLM A 96 0.423 -3.471 -5.689 1.00 0.00 H new HETATM 0 H82 PLM A 96 0.905 -1.488 -3.510 1.00 0.00 H new HETATM 0 H81 PLM A 96 0.871 -1.253 -5.246 1.00 0.00 H new HETATM 0 H72 PLM A 96 3.175 -2.399 -5.368 1.00 0.00 H new HETATM 0 H71 PLM A 96 3.205 -2.403 -3.616 1.00 0.00 H new HETATM 0 H62 PLM A 96 3.118 0.030 -5.469 1.00 0.00 H new HETATM 0 H61 PLM A 96 4.383 -0.394 -4.333 1.00 0.00 H new HETATM 0 H52 PLM A 96 1.598 0.654 -3.716 1.00 0.00 H new HETATM 0 H51 PLM A 96 3.136 1.411 -3.349 1.00 0.00 H new HETATM 0 H42 PLM A 96 3.626 -0.357 -1.606 1.00 0.00 H new HETATM 0 H41 PLM A 96 2.147 -1.204 -2.015 1.00 0.00 H new HETATM 0 H32 PLM A 96 0.977 1.097 -1.789 1.00 0.00 H new HETATM 0 H31 PLM A 96 2.454 1.647 -1.021 1.00 0.00 H new HETATM 0 H22 PLM A 96 2.071 -0.139 0.734 1.00 0.00 H new HETATM 0 H21 PLM A 96 0.489 -0.384 0.021 1.00 0.00 H new