USER MOD reduce.3.24.130724 H: found=0, std=0, add=1064, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1050 hydrogens (25 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 122 SER OG : rot 109:sc= 1.19 USER MOD Set 1.2: A 125 THR OG1 : rot 172:sc= 1.07 USER MOD Set 2.1: A 59 CYS SG : rot 67:sc= 0.632 USER MOD Set 2.2: A 117 TYR OH : rot 60:sc= -0.0516 USER MOD Set 3.1: A 64 TYR OH : rot -4:sc= 1.17 USER MOD Set 3.2: A 71 CYS SG : rot 59:sc= -0.109 USER MOD Set 4.1: A 66 GLN : amide:sc= -0.0296 K(o=-0.071,f=-1.8) USER MOD Set 4.2: A 93 ASN : amide:sc= -0.0409 K(o=-0.071,f=-1.3) USER MOD Set 5.1: A 4 LYS NZ :NH3+ -163:sc= -0.221 (180deg=0) USER MOD Set 5.2: A 33 ASN : amide:sc= -0.0361 X(o=-0.26,f=-0.42) USER MOD Set 6.1: A 25 HIS :FLIP no HD1:sc= -0.607 F(o=-2.9,f=-1.4) USER MOD Set 6.2: A 29 ASN :FLIP amide:sc= -0.784 X(o=-1.8,f=-1.4) USER MOD Single : A 1 MET CE :methyl -177:sc= 0 (180deg=-0.0119) USER MOD Single : A 1 MET N :NH3+ -173:sc= 0 (180deg=-0.0245) USER MOD Single : A 3 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0321) USER MOD Single : A 5 THR OG1 : rot -126:sc= -0.413 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 CYS SG : rot 65:sc= 0.111 USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=-0.0089) USER MOD Single : A 20 ASN : amide:sc= -1.16 K(o=-1.2,f=-3.2) USER MOD Single : A 21 LYS NZ :NH3+ 163:sc= 0.0681 (180deg=0.0231) USER MOD Single : A 26 SER OG : rot 163:sc= 1.55 USER MOD Single : A 28 THR OG1 : rot 80:sc= 0.164 USER MOD Single : A 36 ASN : amide:sc= -0.181 X(o=-0.18,f=-0.12) USER MOD Single : A 41 SER OG : rot -24:sc= 0.717 USER MOD Single : A 42 SER OG : rot 43:sc= 0.0112 USER MOD Single : A 43 GLN :FLIP amide:sc= -3! C(o=-3.7!,f=-3!) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 89:sc= 1.26 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 20:sc= 0.24 USER MOD Single : A 62 SER OG : rot 50:sc= -0.977 USER MOD Single : A 72 LYS NZ :NH3+ -167:sc= -0.0127 (180deg=-0.408) USER MOD Single : A 77 LYS NZ :NH3+ -154:sc= -0.818 (180deg=-2.6!) USER MOD Single : A 78 CYS SG : rot 153:sc= 0.0657 USER MOD Single : A 84 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.031) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0463) USER MOD Single : A 99 GLN : amide:sc= -0.848 X(o=-0.85,f=-0.85) USER MOD Single : A 100 ASN : amide:sc= -0.0865 K(o=-0.087,f=-0.6) USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 MET CE :methyl -168:sc= 0 (180deg=-0.134) USER MOD Single : A 121 THR OG1 : rot -150:sc= 0 USER MOD Single : A 126 THR OG1 : rot 142:sc= 0.931 USER MOD Single : A 130 MET CE :methyl 170:sc= -1.31 (180deg=-1.53) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 FOP N4 :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 DBI O2' : rot 163:sc= 0.249 USER MOD Single : A 139 DBI O5' : rot 180:sc= -0.0526 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.546 9.690 11.890 1.00 0.00 N ATOM 2 CA MET A 1 -1.900 8.581 12.555 1.00 0.00 C ATOM 3 C MET A 1 -2.512 7.327 11.923 1.00 0.00 C ATOM 4 O MET A 1 -1.846 6.564 11.234 1.00 0.00 O ATOM 5 CB MET A 1 -2.113 8.666 14.080 1.00 0.00 C ATOM 6 CG MET A 1 -1.371 7.569 14.852 1.00 0.00 C ATOM 7 SD MET A 1 -1.855 7.547 16.588 1.00 0.00 S ATOM 8 CE MET A 1 -3.245 6.406 16.463 1.00 0.00 C ATOM 0 H1 MET A 1 -2.096 10.581 12.183 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.454 9.578 10.860 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.553 9.710 12.148 1.00 0.00 H new ATOM 0 HA MET A 1 -0.818 8.577 12.427 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.778 9.641 14.434 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.179 8.597 14.297 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.581 6.599 14.402 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.296 7.730 14.774 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.719 6.302 17.439 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.970 6.793 15.747 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.888 5.432 16.127 1.00 0.00 H new ATOM 20 N GLU A 2 -3.823 7.176 12.215 1.00 0.00 N ATOM 21 CA GLU A 2 -4.617 6.066 11.719 1.00 0.00 C ATOM 22 C GLU A 2 -5.824 6.736 11.066 1.00 0.00 C ATOM 23 O GLU A 2 -6.913 6.812 11.621 1.00 0.00 O ATOM 24 CB GLU A 2 -5.017 5.121 12.866 1.00 0.00 C ATOM 25 CG GLU A 2 -3.815 4.332 13.415 1.00 0.00 C ATOM 26 CD GLU A 2 -4.193 3.310 14.506 1.00 0.00 C ATOM 27 OE1 GLU A 2 -5.339 3.294 14.955 1.00 0.00 O ATOM 28 OE2 GLU A 2 -3.323 2.531 14.897 1.00 0.00 O ATOM 0 H GLU A 2 -4.345 7.827 12.801 1.00 0.00 H new ATOM 0 HA GLU A 2 -4.078 5.435 11.013 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -5.468 5.701 13.672 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -5.776 4.424 12.512 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -3.328 3.809 12.592 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -3.087 5.033 13.822 1.00 0.00 H new ATOM 35 N LYS A 3 -5.535 7.199 9.831 1.00 0.00 N ATOM 36 CA LYS A 3 -6.488 7.887 8.997 1.00 0.00 C ATOM 37 C LYS A 3 -7.463 6.850 8.441 1.00 0.00 C ATOM 38 O LYS A 3 -7.419 5.663 8.738 1.00 0.00 O ATOM 39 CB LYS A 3 -5.762 8.639 7.875 1.00 0.00 C ATOM 40 CG LYS A 3 -5.044 9.877 8.384 1.00 0.00 C ATOM 41 CD LYS A 3 -4.356 10.636 7.247 1.00 0.00 C ATOM 42 CE LYS A 3 -3.676 11.912 7.748 1.00 0.00 C ATOM 43 NZ LYS A 3 -4.626 12.936 8.167 1.00 0.00 N ATOM 0 H LYS A 3 -4.617 7.094 9.399 1.00 0.00 H new ATOM 0 HA LYS A 3 -7.041 8.629 9.573 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -5.042 7.973 7.401 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -6.482 8.928 7.109 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -5.758 10.534 8.881 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -4.304 9.588 9.130 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -3.616 9.991 6.774 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -5.090 10.891 6.483 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -3.024 11.665 8.585 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -3.042 12.314 6.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -4.114 13.811 8.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -5.298 13.123 7.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -5.145 12.606 9.005 1.00 0.00 H new ATOM 56 N LYS A 4 -8.342 7.424 7.596 1.00 0.00 N ATOM 57 CA LYS A 4 -9.397 6.672 6.956 1.00 0.00 C ATOM 58 C LYS A 4 -9.218 6.781 5.439 1.00 0.00 C ATOM 59 O LYS A 4 -10.070 7.321 4.748 1.00 0.00 O ATOM 60 CB LYS A 4 -10.765 7.189 7.452 1.00 0.00 C ATOM 61 CG LYS A 4 -10.934 8.717 7.389 1.00 0.00 C ATOM 62 CD LYS A 4 -12.296 9.165 7.934 1.00 0.00 C ATOM 63 CE LYS A 4 -12.447 10.689 7.969 1.00 0.00 C ATOM 64 NZ LYS A 4 -12.443 11.294 6.643 1.00 0.00 N ATOM 0 H LYS A 4 -8.327 8.414 7.351 1.00 0.00 H new ATOM 0 HA LYS A 4 -9.353 5.614 7.215 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -11.551 6.725 6.857 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -10.910 6.863 8.482 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -10.139 9.194 7.962 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -10.828 9.052 6.357 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -13.087 8.740 7.317 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -12.428 8.768 8.940 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -13.378 10.944 8.476 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -11.636 11.115 8.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -12.259 12.314 6.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -11.700 10.855 6.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -13.368 11.146 6.191 1.00 0.00 H new ATOM 77 N THR A 5 -8.078 6.232 4.956 1.00 0.00 N ATOM 78 CA THR A 5 -7.812 6.196 3.519 1.00 0.00 C ATOM 79 C THR A 5 -6.966 4.929 3.316 1.00 0.00 C ATOM 80 O THR A 5 -5.788 4.838 3.656 1.00 0.00 O ATOM 81 CB THR A 5 -7.189 7.464 2.881 1.00 0.00 C ATOM 82 OG1 THR A 5 -5.824 7.787 3.263 1.00 0.00 O ATOM 83 CG2 THR A 5 -8.216 8.639 2.813 1.00 0.00 C ATOM 0 H THR A 5 -7.348 5.819 5.536 1.00 0.00 H new ATOM 0 HA THR A 5 -8.759 6.174 2.979 1.00 0.00 H new ATOM 0 HB THR A 5 -6.990 7.206 1.841 1.00 0.00 H new ATOM 0 HG1 THR A 5 -5.785 8.711 3.586 1.00 0.00 H new ATOM 0 HG21 THR A 5 -7.743 9.510 2.360 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.074 8.338 2.212 1.00 0.00 H new ATOM 0 HG23 THR A 5 -8.549 8.890 3.820 1.00 0.00 H new ATOM 91 N ILE A 6 -7.715 3.968 2.731 1.00 0.00 N ATOM 92 CA ILE A 6 -7.320 2.623 2.411 1.00 0.00 C ATOM 93 C ILE A 6 -7.550 2.557 0.905 1.00 0.00 C ATOM 94 O ILE A 6 -8.642 2.841 0.434 1.00 0.00 O ATOM 95 CB ILE A 6 -8.178 1.620 3.264 1.00 0.00 C ATOM 96 CG1 ILE A 6 -8.531 2.161 4.712 1.00 0.00 C ATOM 97 CG2 ILE A 6 -8.937 0.588 2.345 1.00 0.00 C ATOM 98 CD1 ILE A 6 -7.255 2.262 5.543 1.00 0.00 C ATOM 0 H ILE A 6 -8.681 4.150 2.459 1.00 0.00 H new ATOM 0 HA ILE A 6 -6.290 2.354 2.647 1.00 0.00 H new ATOM 0 HB ILE A 6 -7.767 0.775 3.816 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -9.009 3.138 4.640 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -9.242 1.493 5.198 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -9.521 -0.091 2.966 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -9.603 1.124 1.668 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -8.213 0.017 1.764 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -7.498 2.634 6.538 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -6.796 1.277 5.626 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -6.559 2.947 5.059 1.00 0.00 H new ATOM 110 N VAL A 7 -6.480 2.165 0.184 1.00 0.00 N ATOM 111 CA VAL A 7 -6.530 2.070 -1.257 1.00 0.00 C ATOM 112 C VAL A 7 -6.046 0.692 -1.687 1.00 0.00 C ATOM 113 O VAL A 7 -5.041 0.191 -1.199 1.00 0.00 O ATOM 114 CB VAL A 7 -5.702 3.201 -1.959 1.00 0.00 C ATOM 115 CG1 VAL A 7 -4.457 3.558 -1.089 1.00 0.00 C ATOM 116 CG2 VAL A 7 -5.661 3.398 -3.491 1.00 0.00 C ATOM 0 H VAL A 7 -5.580 1.913 0.592 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.565 2.208 -1.571 1.00 0.00 H new ATOM 0 HB VAL A 7 -6.389 4.047 -1.991 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.884 4.344 -1.580 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -4.785 3.906 -0.109 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -3.831 2.674 -0.969 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.020 4.246 -3.732 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.266 2.498 -3.963 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -6.669 3.589 -3.860 1.00 0.00 H new ATOM 126 N LEU A 8 -6.845 0.110 -2.621 1.00 0.00 N ATOM 127 CA LEU A 8 -6.503 -1.214 -3.134 1.00 0.00 C ATOM 128 C LEU A 8 -6.427 -1.111 -4.656 1.00 0.00 C ATOM 129 O LEU A 8 -7.250 -0.479 -5.310 1.00 0.00 O ATOM 130 CB LEU A 8 -7.445 -2.335 -2.640 1.00 0.00 C ATOM 131 CG LEU A 8 -8.802 -2.469 -3.406 1.00 0.00 C ATOM 132 CD1 LEU A 8 -8.653 -3.532 -4.543 1.00 0.00 C ATOM 133 CD2 LEU A 8 -10.165 -2.123 -2.767 1.00 0.00 C ATOM 0 H LEU A 8 -7.691 0.526 -3.011 1.00 0.00 H new ATOM 0 HA LEU A 8 -5.534 -1.517 -2.737 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.915 -3.285 -2.708 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.660 -2.165 -1.585 1.00 0.00 H new ATOM 0 HG LEU A 8 -9.012 -1.503 -3.866 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -9.598 -3.627 -5.078 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.873 -3.216 -5.236 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.384 -4.495 -4.108 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -10.961 -2.296 -3.492 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -10.327 -2.753 -1.893 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -10.170 -1.076 -2.465 1.00 0.00 H new ATOM 145 N GLY A 9 -5.376 -1.811 -5.145 1.00 0.00 N ATOM 146 CA GLY A 9 -5.054 -1.933 -6.563 1.00 0.00 C ATOM 147 C GLY A 9 -4.896 -3.423 -6.882 1.00 0.00 C ATOM 148 O GLY A 9 -4.764 -4.235 -5.977 1.00 0.00 O ATOM 0 H GLY A 9 -4.723 -2.312 -4.542 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -5.843 -1.494 -7.173 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -4.135 -1.394 -6.794 1.00 0.00 H new ATOM 152 N VAL A 10 -4.919 -3.754 -8.195 1.00 0.00 N ATOM 153 CA VAL A 10 -4.798 -5.163 -8.548 1.00 0.00 C ATOM 154 C VAL A 10 -4.364 -5.324 -10.005 1.00 0.00 C ATOM 155 O VAL A 10 -5.038 -4.933 -10.946 1.00 0.00 O ATOM 156 CB VAL A 10 -6.157 -5.875 -8.287 1.00 0.00 C ATOM 157 CG1 VAL A 10 -7.414 -4.911 -8.388 1.00 0.00 C ATOM 158 CG2 VAL A 10 -5.980 -7.413 -8.564 1.00 0.00 C ATOM 0 H VAL A 10 -5.014 -3.102 -8.974 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.030 -5.624 -7.927 1.00 0.00 H new ATOM 0 HB VAL A 10 -6.617 -6.081 -7.321 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -8.324 -5.478 -8.194 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -7.320 -4.113 -7.652 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.462 -4.479 -9.388 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -6.925 -7.926 -8.385 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -5.676 -7.563 -9.600 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -5.216 -7.817 -7.899 1.00 0.00 H new ATOM 168 N ILE A 11 -3.187 -5.969 -10.091 1.00 0.00 N ATOM 169 CA ILE A 11 -2.515 -6.275 -11.336 1.00 0.00 C ATOM 170 C ILE A 11 -2.609 -7.821 -11.386 1.00 0.00 C ATOM 171 O ILE A 11 -3.175 -8.438 -10.491 1.00 0.00 O ATOM 172 CB ILE A 11 -1.099 -5.609 -11.296 1.00 0.00 C ATOM 173 CG1 ILE A 11 -0.149 -6.093 -12.474 1.00 0.00 C ATOM 174 CG2 ILE A 11 -1.266 -4.149 -10.683 1.00 0.00 C ATOM 175 CD1 ILE A 11 -0.656 -5.974 -13.941 1.00 0.00 C ATOM 0 H ILE A 11 -2.677 -6.293 -9.269 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.928 -5.882 -12.265 1.00 0.00 H new ATOM 0 HB ILE A 11 -0.341 -5.953 -10.592 1.00 0.00 H new ATOM 0 HG12 ILE A 11 0.782 -5.531 -12.400 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.095 -7.140 -12.293 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.294 -3.658 -10.642 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.941 -3.566 -11.310 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.678 -4.222 -9.677 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.110 -6.346 -14.622 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.565 -6.563 -14.061 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -0.868 -4.929 -14.169 1.00 0.00 H new ATOM 187 N GLY A 12 -2.067 -8.417 -12.469 1.00 0.00 N ATOM 188 CA GLY A 12 -2.106 -9.862 -12.641 1.00 0.00 C ATOM 189 C GLY A 12 -3.355 -10.218 -13.441 1.00 0.00 C ATOM 190 O GLY A 12 -4.456 -10.325 -12.915 1.00 0.00 O ATOM 0 H GLY A 12 -1.603 -7.914 -13.225 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -1.212 -10.206 -13.161 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -2.122 -10.359 -11.671 1.00 0.00 H new ATOM 194 N SER A 13 -3.085 -10.413 -14.748 1.00 0.00 N ATOM 195 CA SER A 13 -4.118 -10.708 -15.717 1.00 0.00 C ATOM 196 C SER A 13 -4.467 -12.202 -15.648 1.00 0.00 C ATOM 197 O SER A 13 -5.333 -12.664 -16.381 1.00 0.00 O ATOM 198 CB SER A 13 -3.548 -10.239 -17.090 1.00 0.00 C ATOM 199 OG SER A 13 -2.672 -9.036 -17.119 1.00 0.00 O ATOM 0 H SER A 13 -2.146 -10.367 -15.143 1.00 0.00 H new ATOM 0 HA SER A 13 -5.060 -10.191 -15.534 1.00 0.00 H new ATOM 0 HB2 SER A 13 -2.986 -11.069 -17.517 1.00 0.00 H new ATOM 0 HB3 SER A 13 -4.392 -10.051 -17.753 1.00 0.00 H new ATOM 0 HG SER A 13 -2.388 -8.860 -18.040 1.00 0.00 H new ATOM 205 N ASP A 14 -3.777 -12.931 -14.736 1.00 0.00 N ATOM 206 CA ASP A 14 -4.019 -14.344 -14.563 1.00 0.00 C ATOM 207 C ASP A 14 -5.360 -14.429 -13.827 1.00 0.00 C ATOM 208 O ASP A 14 -5.485 -13.921 -12.719 1.00 0.00 O ATOM 209 CB ASP A 14 -2.871 -14.943 -13.732 1.00 0.00 C ATOM 210 CG ASP A 14 -3.059 -16.449 -13.470 1.00 0.00 C ATOM 211 OD1 ASP A 14 -2.985 -17.226 -14.422 1.00 0.00 O ATOM 212 OD2 ASP A 14 -3.275 -16.828 -12.319 1.00 0.00 O ATOM 0 H ASP A 14 -3.058 -12.547 -14.123 1.00 0.00 H new ATOM 0 HA ASP A 14 -4.059 -14.899 -15.500 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.927 -14.783 -14.253 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.803 -14.417 -12.780 1.00 0.00 H new ATOM 217 N CYS A 15 -6.335 -15.082 -14.512 1.00 0.00 N ATOM 218 CA CYS A 15 -7.674 -15.254 -13.964 1.00 0.00 C ATOM 219 C CYS A 15 -8.465 -13.990 -14.323 1.00 0.00 C ATOM 220 O CYS A 15 -9.356 -14.061 -15.161 1.00 0.00 O ATOM 221 CB CYS A 15 -7.748 -15.618 -12.464 1.00 0.00 C ATOM 222 SG CYS A 15 -6.673 -17.006 -12.019 1.00 0.00 S ATOM 0 H CYS A 15 -6.204 -15.490 -15.438 1.00 0.00 H new ATOM 0 HA CYS A 15 -8.120 -16.140 -14.416 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -7.472 -14.747 -11.870 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -8.778 -15.866 -12.206 1.00 0.00 H new ATOM 0 HG CYS A 15 -5.430 -16.664 -12.189 1.00 0.00 H new ATOM 228 N HIS A 16 -8.125 -12.839 -13.672 1.00 0.00 N ATOM 229 CA HIS A 16 -8.902 -11.660 -14.023 1.00 0.00 C ATOM 230 C HIS A 16 -8.049 -10.446 -13.665 1.00 0.00 C ATOM 231 O HIS A 16 -7.572 -9.719 -14.527 1.00 0.00 O ATOM 232 CB HIS A 16 -10.266 -11.694 -13.288 1.00 0.00 C ATOM 233 CG HIS A 16 -11.156 -10.560 -13.743 1.00 0.00 C ATOM 234 ND1 HIS A 16 -11.197 -9.345 -13.154 1.00 0.00 N ATOM 235 CD2 HIS A 16 -12.068 -10.569 -14.811 1.00 0.00 C ATOM 236 CE1 HIS A 16 -12.108 -8.638 -13.845 1.00 0.00 C ATOM 237 NE2 HIS A 16 -12.650 -9.350 -14.850 1.00 0.00 N ATOM 0 H HIS A 16 -7.391 -12.723 -12.973 1.00 0.00 H new ATOM 0 HA HIS A 16 -9.140 -11.619 -15.086 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -10.761 -12.647 -13.476 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -10.105 -11.625 -12.212 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -12.267 -11.396 -15.477 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -12.374 -7.616 -13.619 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -13.360 -9.033 -15.510 1.00 0.00 H new ATOM 245 N ALA A 17 -7.926 -10.303 -12.332 1.00 0.00 N ATOM 246 CA ALA A 17 -7.241 -9.251 -11.601 1.00 0.00 C ATOM 247 C ALA A 17 -8.308 -8.748 -10.617 1.00 0.00 C ATOM 248 O ALA A 17 -8.402 -7.558 -10.338 1.00 0.00 O ATOM 249 CB ALA A 17 -6.696 -8.086 -12.458 1.00 0.00 C ATOM 0 H ALA A 17 -8.343 -10.984 -11.697 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.338 -9.648 -11.138 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.204 -7.358 -11.812 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -5.979 -8.472 -13.182 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -7.520 -7.605 -12.985 1.00 0.00 H new ATOM 255 N VAL A 18 -9.123 -9.719 -10.126 1.00 0.00 N ATOM 256 CA VAL A 18 -10.166 -9.375 -9.165 1.00 0.00 C ATOM 257 C VAL A 18 -9.542 -9.064 -7.778 1.00 0.00 C ATOM 258 O VAL A 18 -9.012 -9.941 -7.107 1.00 0.00 O ATOM 259 CB VAL A 18 -11.217 -10.533 -9.081 1.00 0.00 C ATOM 260 CG1 VAL A 18 -10.532 -11.930 -8.929 1.00 0.00 C ATOM 261 CG2 VAL A 18 -12.718 -10.305 -8.775 1.00 0.00 C ATOM 0 H VAL A 18 -9.071 -10.706 -10.377 1.00 0.00 H new ATOM 0 HA VAL A 18 -10.683 -8.476 -9.500 1.00 0.00 H new ATOM 0 HB VAL A 18 -11.764 -10.506 -10.023 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -11.296 -12.706 -8.874 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -9.888 -12.115 -9.789 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -9.934 -11.945 -8.018 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -13.238 -11.263 -8.771 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -12.822 -9.832 -7.799 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -13.151 -9.660 -9.539 1.00 0.00 H new ATOM 271 N GLY A 19 -9.636 -7.761 -7.404 1.00 0.00 N ATOM 272 CA GLY A 19 -9.121 -7.266 -6.117 1.00 0.00 C ATOM 273 C GLY A 19 -10.227 -7.133 -5.051 1.00 0.00 C ATOM 274 O GLY A 19 -10.058 -6.575 -3.959 1.00 0.00 O ATOM 0 H GLY A 19 -10.066 -7.040 -7.983 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -8.349 -7.944 -5.753 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.647 -6.296 -6.268 1.00 0.00 H new ATOM 278 N ASN A 20 -11.380 -7.736 -5.448 1.00 0.00 N ATOM 279 CA ASN A 20 -12.595 -7.773 -4.643 1.00 0.00 C ATOM 280 C ASN A 20 -12.098 -8.134 -3.259 1.00 0.00 C ATOM 281 O ASN A 20 -12.163 -7.294 -2.369 1.00 0.00 O ATOM 282 CB ASN A 20 -13.641 -8.751 -5.210 1.00 0.00 C ATOM 283 CG ASN A 20 -14.263 -8.201 -6.506 1.00 0.00 C ATOM 284 OD1 ASN A 20 -13.615 -7.539 -7.307 1.00 0.00 O ATOM 285 ND2 ASN A 20 -15.564 -8.515 -6.648 1.00 0.00 N ATOM 0 H ASN A 20 -11.475 -8.209 -6.346 1.00 0.00 H new ATOM 0 HA ASN A 20 -13.134 -6.826 -4.636 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -13.173 -9.716 -5.407 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -14.423 -8.922 -4.471 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -16.079 -8.196 -7.469 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -16.035 -9.072 -5.935 1.00 0.00 H new ATOM 292 N LYS A 21 -11.518 -9.384 -3.256 1.00 0.00 N ATOM 293 CA LYS A 21 -10.805 -10.273 -2.306 1.00 0.00 C ATOM 294 C LYS A 21 -10.915 -9.706 -0.903 1.00 0.00 C ATOM 295 O LYS A 21 -10.003 -9.724 -0.085 1.00 0.00 O ATOM 296 CB LYS A 21 -9.316 -10.378 -2.715 1.00 0.00 C ATOM 297 CG LYS A 21 -9.087 -11.025 -4.091 1.00 0.00 C ATOM 298 CD LYS A 21 -8.772 -12.523 -3.983 1.00 0.00 C ATOM 299 CE LYS A 21 -8.705 -13.223 -5.343 1.00 0.00 C ATOM 300 NZ LYS A 21 -7.608 -12.739 -6.174 1.00 0.00 N ATOM 0 H LYS A 21 -11.565 -9.888 -4.142 1.00 0.00 H new ATOM 0 HA LYS A 21 -11.254 -11.266 -2.328 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -8.880 -9.379 -2.718 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.783 -10.956 -1.960 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.975 -10.886 -4.708 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -8.265 -10.518 -4.596 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.820 -12.652 -3.468 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.534 -13.005 -3.370 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.592 -14.296 -5.189 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.647 -13.074 -5.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -7.426 -13.419 -6.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.863 -11.817 -6.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -6.752 -12.635 -5.593 1.00 0.00 H new ATOM 313 N ILE A 22 -12.129 -9.192 -0.728 1.00 0.00 N ATOM 314 CA ILE A 22 -12.713 -8.494 0.341 1.00 0.00 C ATOM 315 C ILE A 22 -11.621 -7.639 1.002 1.00 0.00 C ATOM 316 O ILE A 22 -11.461 -7.604 2.214 1.00 0.00 O ATOM 317 CB ILE A 22 -13.613 -9.511 1.078 1.00 0.00 C ATOM 318 CG1 ILE A 22 -12.948 -10.784 1.600 1.00 0.00 C ATOM 319 CG2 ILE A 22 -15.079 -9.376 0.544 1.00 0.00 C ATOM 320 CD1 ILE A 22 -13.826 -11.722 2.465 1.00 0.00 C ATOM 0 H ILE A 22 -12.812 -9.292 -1.479 1.00 0.00 H new ATOM 0 HA ILE A 22 -13.434 -7.700 0.148 1.00 0.00 H new ATOM 0 HB ILE A 22 -13.794 -9.314 2.135 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -12.583 -11.353 0.745 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -12.076 -10.496 2.187 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -15.721 -10.091 1.059 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -15.441 -8.365 0.727 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -15.096 -9.579 -0.527 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -13.240 -12.588 2.773 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -14.171 -11.185 3.348 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -14.686 -12.054 1.883 1.00 0.00 H new ATOM 332 N LEU A 23 -10.869 -6.946 0.086 1.00 0.00 N ATOM 333 CA LEU A 23 -9.855 -6.013 0.549 1.00 0.00 C ATOM 334 C LEU A 23 -10.649 -4.801 1.051 1.00 0.00 C ATOM 335 O LEU A 23 -10.395 -4.232 2.111 1.00 0.00 O ATOM 336 CB LEU A 23 -8.943 -5.632 -0.629 1.00 0.00 C ATOM 337 CG LEU A 23 -7.771 -6.636 -0.797 1.00 0.00 C ATOM 338 CD1 LEU A 23 -7.357 -6.686 -2.284 1.00 0.00 C ATOM 339 CD2 LEU A 23 -6.685 -6.715 0.254 1.00 0.00 C ATOM 0 H LEU A 23 -10.959 -7.028 -0.927 1.00 0.00 H new ATOM 0 HA LEU A 23 -9.213 -6.422 1.330 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -9.529 -5.600 -1.547 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -8.544 -4.630 -0.471 1.00 0.00 H new ATOM 0 HG LEU A 23 -8.171 -7.611 -0.519 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.534 -7.390 -2.409 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -8.205 -7.009 -2.887 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.039 -5.695 -2.607 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.954 -7.471 -0.034 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.191 -5.747 0.341 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.126 -6.984 1.214 1.00 0.00 H new ATOM 351 N ASP A 24 -11.669 -4.480 0.223 1.00 0.00 N ATOM 352 CA ASP A 24 -12.555 -3.382 0.554 1.00 0.00 C ATOM 353 C ASP A 24 -13.488 -3.835 1.706 1.00 0.00 C ATOM 354 O ASP A 24 -14.313 -3.064 2.177 1.00 0.00 O ATOM 355 CB ASP A 24 -13.345 -2.937 -0.696 1.00 0.00 C ATOM 356 CG ASP A 24 -14.017 -4.125 -1.417 1.00 0.00 C ATOM 357 OD1 ASP A 24 -15.066 -4.578 -0.960 1.00 0.00 O ATOM 358 OD2 ASP A 24 -13.482 -4.583 -2.428 1.00 0.00 O ATOM 0 H ASP A 24 -11.882 -4.960 -0.651 1.00 0.00 H new ATOM 0 HA ASP A 24 -11.984 -2.516 0.889 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -14.107 -2.214 -0.404 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -12.672 -2.429 -1.387 1.00 0.00 H new ATOM 363 N HIS A 25 -13.335 -5.097 2.166 1.00 0.00 N ATOM 364 CA HIS A 25 -14.217 -5.538 3.238 1.00 0.00 C ATOM 365 C HIS A 25 -13.683 -4.973 4.544 1.00 0.00 C ATOM 366 O HIS A 25 -14.421 -4.453 5.367 1.00 0.00 O ATOM 367 CB HIS A 25 -14.289 -7.071 3.297 1.00 0.00 C ATOM 368 CG HIS A 25 -15.293 -7.559 4.317 1.00 0.00 C ATOM 369 ND1 HIS A 25 -15.124 -8.614 5.228 1.00 0.00 N flip ATOM 370 CD2 HIS A 25 -16.527 -7.039 4.490 1.00 0.00 C flip ATOM 371 CE1 HIS A 25 -16.267 -8.716 5.942 1.00 0.00 C flip ATOM 372 NE2 HIS A 25 -17.091 -7.759 5.476 1.00 0.00 N flip ATOM 0 H HIS A 25 -12.654 -5.779 1.832 1.00 0.00 H new ATOM 0 HA HIS A 25 -15.230 -5.178 3.058 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -14.556 -7.458 2.314 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -13.304 -7.470 3.540 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -16.969 -6.216 3.949 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -16.477 -9.424 6.730 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -18.034 -7.598 5.830 1.00 0.00 H new ATOM 380 N SER A 26 -12.349 -5.090 4.650 1.00 0.00 N ATOM 381 CA SER A 26 -11.626 -4.688 5.841 1.00 0.00 C ATOM 382 C SER A 26 -11.683 -3.171 6.021 1.00 0.00 C ATOM 383 O SER A 26 -11.468 -2.681 7.125 1.00 0.00 O ATOM 384 CB SER A 26 -10.168 -5.205 5.781 1.00 0.00 C ATOM 385 OG SER A 26 -9.163 -4.899 6.837 1.00 0.00 O ATOM 0 H SER A 26 -11.755 -5.465 3.910 1.00 0.00 H new ATOM 0 HA SER A 26 -12.103 -5.136 6.713 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.226 -6.291 5.712 1.00 0.00 H new ATOM 0 HB3 SER A 26 -9.750 -4.847 4.840 1.00 0.00 H new ATOM 0 HG SER A 26 -8.407 -5.517 6.758 1.00 0.00 H new ATOM 391 N PHE A 27 -11.987 -2.445 4.917 1.00 0.00 N ATOM 392 CA PHE A 27 -12.071 -0.983 5.037 1.00 0.00 C ATOM 393 C PHE A 27 -13.234 -0.683 5.977 1.00 0.00 C ATOM 394 O PHE A 27 -13.164 0.139 6.878 1.00 0.00 O ATOM 395 CB PHE A 27 -12.151 -0.204 3.681 1.00 0.00 C ATOM 396 CG PHE A 27 -13.524 0.137 3.118 1.00 0.00 C ATOM 397 CD1 PHE A 27 -14.438 0.931 3.809 1.00 0.00 C ATOM 398 CD2 PHE A 27 -13.909 -0.344 1.873 1.00 0.00 C ATOM 399 CE1 PHE A 27 -15.708 1.180 3.309 1.00 0.00 C ATOM 400 CE2 PHE A 27 -15.177 -0.101 1.360 1.00 0.00 C ATOM 401 CZ PHE A 27 -16.083 0.657 2.083 1.00 0.00 C ATOM 0 H PHE A 27 -12.167 -2.826 3.988 1.00 0.00 H new ATOM 0 HA PHE A 27 -11.133 -0.610 5.448 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -11.601 0.729 3.802 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -11.621 -0.790 2.930 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -14.151 1.363 4.756 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -13.206 -0.920 1.290 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -16.404 1.781 3.876 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -15.456 -0.503 0.397 1.00 0.00 H new ATOM 0 HZ PHE A 27 -17.074 0.839 1.694 1.00 0.00 H new ATOM 411 N THR A 28 -14.291 -1.448 5.681 1.00 0.00 N ATOM 412 CA THR A 28 -15.570 -1.365 6.341 1.00 0.00 C ATOM 413 C THR A 28 -15.508 -1.883 7.771 1.00 0.00 C ATOM 414 O THR A 28 -16.253 -1.467 8.650 1.00 0.00 O ATOM 415 CB THR A 28 -16.560 -2.120 5.397 1.00 0.00 C ATOM 416 OG1 THR A 28 -16.139 -2.382 4.014 1.00 0.00 O ATOM 417 CG2 THR A 28 -17.965 -1.482 5.453 1.00 0.00 C ATOM 0 H THR A 28 -14.264 -2.160 4.951 1.00 0.00 H new ATOM 0 HA THR A 28 -15.912 -0.340 6.484 1.00 0.00 H new ATOM 0 HB THR A 28 -16.574 -3.125 5.818 1.00 0.00 H new ATOM 0 HG1 THR A 28 -15.550 -3.165 3.994 1.00 0.00 H new ATOM 0 HG21 THR A 28 -18.637 -2.024 4.788 1.00 0.00 H new ATOM 0 HG22 THR A 28 -18.346 -1.531 6.473 1.00 0.00 H new ATOM 0 HG23 THR A 28 -17.904 -0.440 5.138 1.00 0.00 H new ATOM 425 N ASN A 29 -14.566 -2.799 7.922 1.00 0.00 N ATOM 426 CA ASN A 29 -14.298 -3.501 9.147 1.00 0.00 C ATOM 427 C ASN A 29 -13.316 -2.685 9.976 1.00 0.00 C ATOM 428 O ASN A 29 -12.912 -3.141 11.040 1.00 0.00 O ATOM 429 CB ASN A 29 -13.706 -4.913 8.944 1.00 0.00 C ATOM 430 CG ASN A 29 -14.499 -5.886 8.047 1.00 0.00 C ATOM 431 OD1 ASN A 29 -15.687 -5.440 7.602 1.00 0.00 O flip ATOM 432 ND2 ASN A 29 -14.041 -6.988 7.774 1.00 0.00 N flip ATOM 0 H ASN A 29 -13.948 -3.078 7.160 1.00 0.00 H new ATOM 0 HA ASN A 29 -15.258 -3.627 9.648 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -12.707 -4.803 8.523 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -13.590 -5.375 9.924 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -13.132 -7.268 8.143 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -14.568 -7.626 7.177 1.00 0.00 H new ATOM 439 N ALA A 30 -12.936 -1.487 9.474 1.00 0.00 N ATOM 440 CA ALA A 30 -12.006 -0.674 10.197 1.00 0.00 C ATOM 441 C ALA A 30 -12.616 0.730 10.305 1.00 0.00 C ATOM 442 O ALA A 30 -11.976 1.643 10.812 1.00 0.00 O ATOM 443 CB ALA A 30 -10.641 -0.750 9.506 1.00 0.00 C ATOM 0 H ALA A 30 -13.264 -1.094 8.592 1.00 0.00 H new ATOM 0 HA ALA A 30 -11.826 -1.016 11.216 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -9.924 -0.134 10.048 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -10.296 -1.784 9.495 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -10.731 -0.386 8.482 1.00 0.00 H new ATOM 449 N GLY A 31 -13.880 0.858 9.817 1.00 0.00 N ATOM 450 CA GLY A 31 -14.603 2.122 9.846 1.00 0.00 C ATOM 451 C GLY A 31 -13.849 3.239 9.115 1.00 0.00 C ATOM 452 O GLY A 31 -13.953 4.408 9.468 1.00 0.00 O ATOM 0 H GLY A 31 -14.405 0.088 9.401 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -15.583 1.988 9.388 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -14.772 2.418 10.881 1.00 0.00 H new ATOM 456 N PHE A 32 -13.083 2.797 8.090 1.00 0.00 N ATOM 457 CA PHE A 32 -12.290 3.754 7.326 1.00 0.00 C ATOM 458 C PHE A 32 -13.035 3.969 6.012 1.00 0.00 C ATOM 459 O PHE A 32 -14.135 3.473 5.808 1.00 0.00 O ATOM 460 CB PHE A 32 -10.860 3.210 7.137 1.00 0.00 C ATOM 461 CG PHE A 32 -10.064 3.095 8.419 1.00 0.00 C ATOM 462 CD1 PHE A 32 -10.176 4.018 9.461 1.00 0.00 C ATOM 463 CD2 PHE A 32 -9.164 2.047 8.565 1.00 0.00 C ATOM 464 CE1 PHE A 32 -9.407 3.895 10.611 1.00 0.00 C ATOM 465 CE2 PHE A 32 -8.395 1.922 9.712 1.00 0.00 C ATOM 466 CZ PHE A 32 -8.512 2.845 10.739 1.00 0.00 C ATOM 0 H PHE A 32 -13.006 1.825 7.792 1.00 0.00 H new ATOM 0 HA PHE A 32 -12.175 4.712 7.834 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -10.916 2.227 6.668 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -10.324 3.862 6.447 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -10.871 4.840 9.371 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -9.062 1.319 7.774 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -9.507 4.619 11.406 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -7.701 1.100 9.806 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.911 2.747 11.631 1.00 0.00 H new ATOM 476 N ASN A 33 -12.364 4.770 5.149 1.00 0.00 N ATOM 477 CA ASN A 33 -12.910 5.087 3.839 1.00 0.00 C ATOM 478 C ASN A 33 -12.065 4.285 2.854 1.00 0.00 C ATOM 479 O ASN A 33 -10.892 3.998 3.067 1.00 0.00 O ATOM 480 CB ASN A 33 -12.846 6.587 3.495 1.00 0.00 C ATOM 481 CG ASN A 33 -13.436 7.472 4.604 1.00 0.00 C ATOM 482 OD1 ASN A 33 -14.236 7.044 5.426 1.00 0.00 O ATOM 483 ND2 ASN A 33 -12.978 8.736 4.561 1.00 0.00 N ATOM 0 H ASN A 33 -11.458 5.195 5.347 1.00 0.00 H new ATOM 0 HA ASN A 33 -13.970 4.836 3.804 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -11.809 6.872 3.321 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -13.386 6.766 2.566 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -13.298 9.418 5.248 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -12.310 9.012 3.841 1.00 0.00 H new ATOM 490 N VAL A 34 -12.775 3.962 1.761 1.00 0.00 N ATOM 491 CA VAL A 34 -12.234 3.197 0.655 1.00 0.00 C ATOM 492 C VAL A 34 -11.854 4.177 -0.462 1.00 0.00 C ATOM 493 O VAL A 34 -12.477 5.210 -0.675 1.00 0.00 O ATOM 494 CB VAL A 34 -13.271 2.151 0.175 1.00 0.00 C ATOM 495 CG1 VAL A 34 -14.682 2.859 0.026 1.00 0.00 C ATOM 496 CG2 VAL A 34 -12.450 1.089 -0.662 1.00 0.00 C ATOM 0 H VAL A 34 -13.750 4.233 1.631 1.00 0.00 H new ATOM 0 HA VAL A 34 -11.345 2.647 0.963 1.00 0.00 H new ATOM 0 HB VAL A 34 -13.792 1.365 0.722 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -15.420 2.132 -0.312 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -14.988 3.266 0.990 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -14.609 3.666 -0.702 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -13.125 0.318 -1.033 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -11.967 1.584 -1.504 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -11.691 0.632 -0.026 1.00 0.00 H new ATOM 506 N VAL A 35 -10.771 3.755 -1.134 1.00 0.00 N ATOM 507 CA VAL A 35 -10.174 4.456 -2.254 1.00 0.00 C ATOM 508 C VAL A 35 -9.777 3.361 -3.253 1.00 0.00 C ATOM 509 O VAL A 35 -8.649 2.896 -3.297 1.00 0.00 O ATOM 510 CB VAL A 35 -8.953 5.308 -1.754 1.00 0.00 C ATOM 511 CG1 VAL A 35 -8.272 6.054 -2.946 1.00 0.00 C ATOM 512 CG2 VAL A 35 -8.744 5.819 -0.305 1.00 0.00 C ATOM 0 H VAL A 35 -10.282 2.892 -0.897 1.00 0.00 H new ATOM 0 HA VAL A 35 -10.851 5.165 -2.731 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.338 4.521 -1.317 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -7.429 6.638 -2.576 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.917 5.326 -3.676 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -8.994 6.719 -3.419 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.812 6.382 -0.249 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.576 6.465 -0.023 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -8.697 4.970 0.377 1.00 0.00 H new ATOM 522 N ASN A 36 -10.786 2.948 -4.038 1.00 0.00 N ATOM 523 CA ASN A 36 -10.505 1.913 -5.034 1.00 0.00 C ATOM 524 C ASN A 36 -10.031 2.662 -6.286 1.00 0.00 C ATOM 525 O ASN A 36 -10.708 3.540 -6.808 1.00 0.00 O ATOM 526 CB ASN A 36 -11.728 1.002 -5.263 1.00 0.00 C ATOM 527 CG ASN A 36 -13.009 1.782 -5.607 1.00 0.00 C ATOM 528 OD1 ASN A 36 -13.272 2.110 -6.757 1.00 0.00 O ATOM 529 ND2 ASN A 36 -13.783 2.042 -4.536 1.00 0.00 N ATOM 0 H ASN A 36 -11.746 3.292 -4.006 1.00 0.00 H new ATOM 0 HA ASN A 36 -9.730 1.220 -4.708 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -11.507 0.304 -6.071 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -11.902 0.407 -4.367 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -14.661 2.548 -4.652 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -13.491 1.733 -3.609 1.00 0.00 H new ATOM 536 N ILE A 37 -8.812 2.254 -6.713 1.00 0.00 N ATOM 537 CA ILE A 37 -8.175 2.854 -7.878 1.00 0.00 C ATOM 538 C ILE A 37 -8.633 2.022 -9.081 1.00 0.00 C ATOM 539 O ILE A 37 -9.679 2.276 -9.665 1.00 0.00 O ATOM 540 CB ILE A 37 -6.620 2.924 -7.762 1.00 0.00 C ATOM 541 CG1 ILE A 37 -6.052 4.337 -8.174 1.00 0.00 C ATOM 542 CG2 ILE A 37 -6.082 1.821 -6.776 1.00 0.00 C ATOM 543 CD1 ILE A 37 -4.515 4.394 -8.258 1.00 0.00 C ATOM 0 H ILE A 37 -8.266 1.519 -6.264 1.00 0.00 H new ATOM 0 HA ILE A 37 -8.473 3.897 -7.980 1.00 0.00 H new ATOM 0 HB ILE A 37 -5.891 2.552 -8.482 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -6.469 4.617 -9.141 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -6.394 5.079 -7.453 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -4.996 1.889 -6.711 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -6.515 1.974 -5.787 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.362 0.835 -7.146 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -4.203 5.398 -8.547 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -4.088 4.147 -7.286 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -4.164 3.678 -9.001 1.00 0.00 H new ATOM 555 N GLY A 38 -7.787 1.025 -9.415 1.00 0.00 N ATOM 556 CA GLY A 38 -8.078 0.150 -10.538 1.00 0.00 C ATOM 557 C GLY A 38 -7.044 -0.978 -10.589 1.00 0.00 C ATOM 558 O GLY A 38 -6.894 -1.747 -9.648 1.00 0.00 O ATOM 0 H GLY A 38 -6.916 0.819 -8.925 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -9.081 -0.266 -10.438 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.059 0.717 -11.469 1.00 0.00 H new ATOM 562 N VAL A 39 -6.348 -1.013 -11.748 1.00 0.00 N ATOM 563 CA VAL A 39 -5.319 -2.016 -12.010 1.00 0.00 C ATOM 564 C VAL A 39 -4.026 -1.341 -12.518 1.00 0.00 C ATOM 565 O VAL A 39 -3.106 -2.006 -12.977 1.00 0.00 O ATOM 566 CB VAL A 39 -5.878 -3.045 -13.060 1.00 0.00 C ATOM 567 CG1 VAL A 39 -7.215 -3.650 -12.526 1.00 0.00 C ATOM 568 CG2 VAL A 39 -5.564 -3.076 -14.579 1.00 0.00 C ATOM 0 H VAL A 39 -6.489 -0.352 -12.512 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.068 -2.544 -11.090 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.041 -3.738 -13.145 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -7.606 -4.364 -13.251 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.032 -4.158 -11.579 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.941 -2.851 -12.375 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -6.098 -3.904 -15.044 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.881 -2.138 -15.035 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -4.492 -3.208 -14.726 1.00 0.00 H new ATOM 578 N LEU A 40 -4.010 0.006 -12.400 1.00 0.00 N ATOM 579 CA LEU A 40 -2.888 0.813 -12.848 1.00 0.00 C ATOM 580 C LEU A 40 -1.901 0.871 -11.676 1.00 0.00 C ATOM 581 O LEU A 40 -2.263 1.181 -10.548 1.00 0.00 O ATOM 582 CB LEU A 40 -3.453 2.199 -13.279 1.00 0.00 C ATOM 583 CG LEU A 40 -2.452 3.299 -13.807 1.00 0.00 C ATOM 584 CD1 LEU A 40 -1.445 3.401 -15.012 1.00 0.00 C ATOM 585 CD2 LEU A 40 -3.413 4.470 -14.118 1.00 0.00 C ATOM 0 H LEU A 40 -4.774 0.546 -11.993 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.356 0.410 -13.710 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.193 2.025 -14.060 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.984 2.619 -12.424 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.699 3.146 -13.034 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.948 4.371 -14.990 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.700 2.610 -14.931 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.989 3.293 -15.951 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.843 5.317 -14.500 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.140 4.155 -14.867 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.934 4.764 -13.207 1.00 0.00 H new ATOM 597 N SER A 41 -0.632 0.549 -12.033 1.00 0.00 N ATOM 598 CA SER A 41 0.470 0.526 -11.076 1.00 0.00 C ATOM 599 C SER A 41 1.226 1.852 -11.215 1.00 0.00 C ATOM 600 O SER A 41 2.451 1.893 -11.194 1.00 0.00 O ATOM 601 CB SER A 41 1.417 -0.682 -11.364 1.00 0.00 C ATOM 602 OG SER A 41 2.780 -0.733 -10.775 1.00 0.00 O ATOM 0 H SER A 41 -0.360 0.303 -12.985 1.00 0.00 H new ATOM 0 HA SER A 41 0.094 0.409 -10.060 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.895 -1.583 -11.043 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.532 -0.749 -12.446 1.00 0.00 H new ATOM 0 HG SER A 41 3.081 0.176 -10.568 1.00 0.00 H new ATOM 608 N SER A 42 0.432 2.934 -11.362 1.00 0.00 N ATOM 609 CA SER A 42 0.987 4.271 -11.464 1.00 0.00 C ATOM 610 C SER A 42 1.042 4.739 -10.015 1.00 0.00 C ATOM 611 O SER A 42 0.188 5.473 -9.536 1.00 0.00 O ATOM 612 CB SER A 42 0.024 5.152 -12.295 1.00 0.00 C ATOM 613 OG SER A 42 -1.390 5.291 -11.867 1.00 0.00 O ATOM 0 H SER A 42 -0.586 2.893 -11.411 1.00 0.00 H new ATOM 0 HA SER A 42 1.961 4.316 -11.951 1.00 0.00 H new ATOM 0 HB2 SER A 42 0.452 6.153 -12.338 1.00 0.00 H new ATOM 0 HB3 SER A 42 0.021 4.762 -13.313 1.00 0.00 H new ATOM 0 HG SER A 42 -1.427 5.408 -10.895 1.00 0.00 H new ATOM 619 N GLN A 43 2.111 4.249 -9.360 1.00 0.00 N ATOM 620 CA GLN A 43 2.338 4.518 -7.960 1.00 0.00 C ATOM 621 C GLN A 43 2.910 5.927 -7.822 1.00 0.00 C ATOM 622 O GLN A 43 2.575 6.634 -6.884 1.00 0.00 O ATOM 623 CB GLN A 43 3.272 3.432 -7.405 1.00 0.00 C ATOM 624 CG GLN A 43 3.584 3.559 -5.907 1.00 0.00 C ATOM 625 CD GLN A 43 2.310 3.412 -5.069 1.00 0.00 C ATOM 626 OE1 GLN A 43 2.053 2.135 -4.739 1.00 0.00 O flip ATOM 627 NE2 GLN A 43 1.628 4.377 -4.747 1.00 0.00 N flip ATOM 0 H GLN A 43 2.824 3.664 -9.796 1.00 0.00 H new ATOM 0 HA GLN A 43 1.415 4.485 -7.381 1.00 0.00 H new ATOM 0 HB2 GLN A 43 2.821 2.456 -7.587 1.00 0.00 H new ATOM 0 HB3 GLN A 43 4.209 3.459 -7.961 1.00 0.00 H new ATOM 0 HG2 GLN A 43 4.306 2.796 -5.616 1.00 0.00 H new ATOM 0 HG3 GLN A 43 4.045 4.526 -5.708 1.00 0.00 H new ATOM 0 HE21 GLN A 43 1.899 5.315 -5.043 1.00 0.00 H new ATOM 0 HE22 GLN A 43 0.789 4.243 -4.183 1.00 0.00 H new ATOM 636 N GLU A 44 3.766 6.309 -8.797 1.00 0.00 N ATOM 637 CA GLU A 44 4.400 7.621 -8.770 1.00 0.00 C ATOM 638 C GLU A 44 3.318 8.694 -8.984 1.00 0.00 C ATOM 639 O GLU A 44 3.377 9.767 -8.398 1.00 0.00 O ATOM 640 CB GLU A 44 5.562 7.676 -9.785 1.00 0.00 C ATOM 641 CG GLU A 44 5.156 7.535 -11.270 1.00 0.00 C ATOM 642 CD GLU A 44 4.908 8.875 -12.001 1.00 0.00 C ATOM 643 OE1 GLU A 44 4.727 9.905 -11.352 1.00 0.00 O ATOM 644 OE2 GLU A 44 4.904 8.870 -13.232 1.00 0.00 O ATOM 0 H GLU A 44 4.023 5.728 -9.595 1.00 0.00 H new ATOM 0 HA GLU A 44 4.858 7.820 -7.801 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.087 8.623 -9.658 1.00 0.00 H new ATOM 0 HB3 GLU A 44 6.270 6.884 -9.543 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.939 6.989 -11.796 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.251 6.931 -11.329 1.00 0.00 H new ATOM 651 N ASP A 45 2.322 8.354 -9.834 1.00 0.00 N ATOM 652 CA ASP A 45 1.245 9.297 -10.104 1.00 0.00 C ATOM 653 C ASP A 45 0.266 9.220 -8.932 1.00 0.00 C ATOM 654 O ASP A 45 -0.448 10.179 -8.663 1.00 0.00 O ATOM 655 CB ASP A 45 0.532 8.968 -11.429 1.00 0.00 C ATOM 656 CG ASP A 45 1.498 9.094 -12.621 1.00 0.00 C ATOM 657 OD1 ASP A 45 1.793 10.220 -13.022 1.00 0.00 O ATOM 658 OD2 ASP A 45 1.945 8.071 -13.137 1.00 0.00 O ATOM 0 H ASP A 45 2.252 7.462 -10.324 1.00 0.00 H new ATOM 0 HA ASP A 45 1.647 10.305 -10.205 1.00 0.00 H new ATOM 0 HB2 ASP A 45 0.129 7.956 -11.388 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -0.313 9.642 -11.568 1.00 0.00 H new ATOM 663 N PHE A 46 0.266 8.052 -8.243 1.00 0.00 N ATOM 664 CA PHE A 46 -0.627 7.898 -7.112 1.00 0.00 C ATOM 665 C PHE A 46 0.023 8.572 -5.893 1.00 0.00 C ATOM 666 O PHE A 46 -0.632 8.744 -4.878 1.00 0.00 O ATOM 667 CB PHE A 46 -1.032 6.432 -6.844 1.00 0.00 C ATOM 668 CG PHE A 46 -2.056 6.386 -5.740 1.00 0.00 C ATOM 669 CD1 PHE A 46 -3.380 6.715 -6.008 1.00 0.00 C ATOM 670 CD2 PHE A 46 -1.686 6.088 -4.431 1.00 0.00 C ATOM 671 CE1 PHE A 46 -4.313 6.782 -4.985 1.00 0.00 C ATOM 672 CE2 PHE A 46 -2.615 6.167 -3.403 1.00 0.00 C ATOM 673 CZ PHE A 46 -3.927 6.524 -3.677 1.00 0.00 C ATOM 0 H PHE A 46 0.854 7.246 -8.453 1.00 0.00 H new ATOM 0 HA PHE A 46 -1.573 8.390 -7.339 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -1.439 5.985 -7.751 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -0.156 5.847 -6.566 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -3.685 6.920 -7.024 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -0.670 5.794 -4.214 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -5.340 7.035 -5.206 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -2.316 5.950 -2.388 1.00 0.00 H new ATOM 0 HZ PHE A 46 -4.646 6.601 -2.875 1.00 0.00 H new ATOM 683 N ILE A 47 1.311 8.965 -6.010 1.00 0.00 N ATOM 684 CA ILE A 47 1.955 9.631 -4.882 1.00 0.00 C ATOM 685 C ILE A 47 1.374 11.060 -4.857 1.00 0.00 C ATOM 686 O ILE A 47 1.167 11.644 -3.800 1.00 0.00 O ATOM 687 CB ILE A 47 3.522 9.548 -4.944 1.00 0.00 C ATOM 688 CG1 ILE A 47 4.174 8.470 -4.032 1.00 0.00 C ATOM 689 CG2 ILE A 47 4.157 10.849 -5.537 1.00 0.00 C ATOM 690 CD1 ILE A 47 3.783 6.990 -4.236 1.00 0.00 C ATOM 0 H ILE A 47 1.893 8.836 -6.837 1.00 0.00 H new ATOM 0 HA ILE A 47 1.741 9.135 -3.935 1.00 0.00 H new ATOM 0 HB ILE A 47 4.050 8.964 -5.698 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.255 8.546 -4.152 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.949 8.732 -2.998 1.00 0.00 H new ATOM 0 HG21 ILE A 47 5.242 10.746 -5.561 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.785 11.006 -6.549 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.887 11.702 -4.915 1.00 0.00 H new ATOM 0 HD11 ILE A 47 4.325 6.369 -3.523 1.00 0.00 H new ATOM 0 HD12 ILE A 47 2.711 6.872 -4.079 1.00 0.00 H new ATOM 0 HD13 ILE A 47 4.037 6.683 -5.251 1.00 0.00 H new ATOM 702 N ASN A 48 1.096 11.563 -6.088 1.00 0.00 N ATOM 703 CA ASN A 48 0.531 12.892 -6.245 1.00 0.00 C ATOM 704 C ASN A 48 -0.951 12.815 -5.824 1.00 0.00 C ATOM 705 O ASN A 48 -1.501 13.780 -5.305 1.00 0.00 O ATOM 706 CB ASN A 48 0.710 13.358 -7.703 1.00 0.00 C ATOM 707 CG ASN A 48 0.231 14.804 -7.900 1.00 0.00 C ATOM 708 OD1 ASN A 48 -0.825 15.061 -8.464 1.00 0.00 O ATOM 709 ND2 ASN A 48 1.078 15.720 -7.396 1.00 0.00 N ATOM 0 H ASN A 48 1.258 11.063 -6.962 1.00 0.00 H new ATOM 0 HA ASN A 48 1.036 13.627 -5.618 1.00 0.00 H new ATOM 0 HB2 ASN A 48 1.761 13.281 -7.983 1.00 0.00 H new ATOM 0 HB3 ASN A 48 0.154 12.697 -8.367 1.00 0.00 H new ATOM 0 HD21 ASN A 48 0.858 16.713 -7.470 1.00 0.00 H new ATOM 0 HD22 ASN A 48 1.940 15.421 -6.940 1.00 0.00 H new ATOM 716 N ALA A 49 -1.564 11.628 -6.060 1.00 0.00 N ATOM 717 CA ALA A 49 -2.961 11.446 -5.699 1.00 0.00 C ATOM 718 C ALA A 49 -3.027 10.948 -4.246 1.00 0.00 C ATOM 719 O ALA A 49 -4.116 10.727 -3.745 1.00 0.00 O ATOM 720 CB ALA A 49 -3.655 10.454 -6.641 1.00 0.00 C ATOM 0 H ALA A 49 -1.116 10.816 -6.486 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.485 12.397 -5.792 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.698 10.340 -6.345 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -3.607 10.829 -7.663 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -3.154 9.488 -6.585 1.00 0.00 H new ATOM 726 N ALA A 50 -1.857 10.763 -3.591 1.00 0.00 N ATOM 727 CA ALA A 50 -1.827 10.308 -2.206 1.00 0.00 C ATOM 728 C ALA A 50 -1.851 11.555 -1.323 1.00 0.00 C ATOM 729 O ALA A 50 -2.071 11.453 -0.127 1.00 0.00 O ATOM 730 CB ALA A 50 -0.592 9.452 -1.913 1.00 0.00 C ATOM 0 H ALA A 50 -0.938 10.923 -4.005 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.689 9.672 -2.004 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.609 9.134 -0.871 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.595 8.575 -2.560 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.309 10.037 -2.099 1.00 0.00 H new ATOM 736 N ILE A 51 -1.599 12.728 -1.948 1.00 0.00 N ATOM 737 CA ILE A 51 -1.658 13.987 -1.218 1.00 0.00 C ATOM 738 C ILE A 51 -3.163 14.313 -1.144 1.00 0.00 C ATOM 739 O ILE A 51 -3.687 14.730 -0.118 1.00 0.00 O ATOM 740 CB ILE A 51 -0.848 15.096 -1.969 1.00 0.00 C ATOM 741 CG1 ILE A 51 0.402 14.622 -2.736 1.00 0.00 C ATOM 742 CG2 ILE A 51 -1.096 16.474 -1.275 1.00 0.00 C ATOM 743 CD1 ILE A 51 1.263 15.721 -3.393 1.00 0.00 C ATOM 0 H ILE A 51 -1.359 12.816 -2.935 1.00 0.00 H new ATOM 0 HA ILE A 51 -1.213 13.928 -0.225 1.00 0.00 H new ATOM 0 HB ILE A 51 -1.163 15.409 -2.964 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.033 14.060 -2.047 1.00 0.00 H new ATOM 0 HG13 ILE A 51 0.083 13.928 -3.514 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -0.534 17.250 -1.795 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.159 16.712 -1.309 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.768 16.423 -0.237 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.112 15.263 -3.901 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.661 16.271 -4.116 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.626 16.406 -2.627 1.00 0.00 H new ATOM 755 N GLU A 52 -3.801 14.060 -2.312 1.00 0.00 N ATOM 756 CA GLU A 52 -5.217 14.256 -2.557 1.00 0.00 C ATOM 757 C GLU A 52 -6.003 13.379 -1.566 1.00 0.00 C ATOM 758 O GLU A 52 -6.782 13.871 -0.759 1.00 0.00 O ATOM 759 CB GLU A 52 -5.516 13.878 -4.023 1.00 0.00 C ATOM 760 CG GLU A 52 -7.010 13.866 -4.381 1.00 0.00 C ATOM 761 CD GLU A 52 -7.200 13.553 -5.876 1.00 0.00 C ATOM 762 OE1 GLU A 52 -7.049 12.393 -6.258 1.00 0.00 O ATOM 763 OE2 GLU A 52 -7.496 14.471 -6.641 1.00 0.00 O ATOM 0 H GLU A 52 -3.308 13.700 -3.130 1.00 0.00 H new ATOM 0 HA GLU A 52 -5.514 15.294 -2.407 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -5.003 14.581 -4.679 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -5.098 12.891 -4.224 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.529 13.121 -3.778 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.455 14.833 -4.146 1.00 0.00 H new ATOM 770 N THR A 53 -5.742 12.058 -1.692 1.00 0.00 N ATOM 771 CA THR A 53 -6.368 11.015 -0.910 1.00 0.00 C ATOM 772 C THR A 53 -6.040 11.272 0.560 1.00 0.00 C ATOM 773 O THR A 53 -6.911 11.572 1.366 1.00 0.00 O ATOM 774 CB THR A 53 -5.889 9.583 -1.393 1.00 0.00 C ATOM 775 OG1 THR A 53 -5.876 9.182 -2.804 1.00 0.00 O ATOM 776 CG2 THR A 53 -6.611 8.481 -0.597 1.00 0.00 C ATOM 0 H THR A 53 -5.067 11.698 -2.366 1.00 0.00 H new ATOM 0 HA THR A 53 -7.450 11.031 -1.043 1.00 0.00 H new ATOM 0 HB THR A 53 -4.823 9.703 -1.197 1.00 0.00 H new ATOM 0 HG1 THR A 53 -5.016 9.426 -3.206 1.00 0.00 H new ATOM 0 HG21 THR A 53 -6.272 7.503 -0.940 1.00 0.00 H new ATOM 0 HG22 THR A 53 -6.386 8.592 0.464 1.00 0.00 H new ATOM 0 HG23 THR A 53 -7.687 8.566 -0.751 1.00 0.00 H new ATOM 784 N LYS A 54 -4.731 11.121 0.811 1.00 0.00 N ATOM 785 CA LYS A 54 -4.062 11.236 2.102 1.00 0.00 C ATOM 786 C LYS A 54 -3.808 9.778 2.530 1.00 0.00 C ATOM 787 O LYS A 54 -3.875 9.438 3.704 1.00 0.00 O ATOM 788 CB LYS A 54 -4.856 12.065 3.141 1.00 0.00 C ATOM 789 CG LYS A 54 -4.025 12.553 4.331 1.00 0.00 C ATOM 790 CD LYS A 54 -2.990 13.622 3.941 1.00 0.00 C ATOM 791 CE LYS A 54 -2.209 14.176 5.135 1.00 0.00 C ATOM 792 NZ LYS A 54 -1.280 15.228 4.744 1.00 0.00 N ATOM 0 H LYS A 54 -4.074 10.901 0.063 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.132 11.800 2.029 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.293 12.929 2.640 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.683 11.461 3.514 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.692 12.961 5.091 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.511 11.704 4.781 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.289 13.194 3.225 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.499 14.443 3.437 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.908 14.567 5.874 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.658 13.367 5.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -0.773 15.573 5.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -0.596 14.850 4.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -1.807 16.013 4.311 1.00 0.00 H new ATOM 805 N ALA A 55 -3.509 8.962 1.479 1.00 0.00 N ATOM 806 CA ALA A 55 -3.250 7.525 1.490 1.00 0.00 C ATOM 807 C ALA A 55 -2.311 7.191 2.652 1.00 0.00 C ATOM 808 O ALA A 55 -1.125 7.490 2.617 1.00 0.00 O ATOM 809 CB ALA A 55 -2.639 7.108 0.145 1.00 0.00 C ATOM 0 H ALA A 55 -3.442 9.341 0.534 1.00 0.00 H new ATOM 0 HA ALA A 55 -4.180 6.974 1.629 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.445 6.035 0.151 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -3.334 7.347 -0.660 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -1.704 7.645 -0.012 1.00 0.00 H new ATOM 815 N ASP A 56 -2.915 6.542 3.675 1.00 0.00 N ATOM 816 CA ASP A 56 -2.151 6.149 4.850 1.00 0.00 C ATOM 817 C ASP A 56 -1.592 4.752 4.544 1.00 0.00 C ATOM 818 O ASP A 56 -0.431 4.484 4.834 1.00 0.00 O ATOM 819 CB ASP A 56 -3.004 6.267 6.131 1.00 0.00 C ATOM 820 CG ASP A 56 -2.291 5.879 7.446 1.00 0.00 C ATOM 821 OD1 ASP A 56 -1.130 5.472 7.422 1.00 0.00 O ATOM 822 OD2 ASP A 56 -2.915 6.008 8.497 1.00 0.00 O ATOM 0 H ASP A 56 -3.903 6.291 3.699 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.311 6.812 5.058 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.355 7.295 6.219 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -3.886 5.637 6.018 1.00 0.00 H new ATOM 827 N LEU A 57 -2.445 3.885 3.939 1.00 0.00 N ATOM 828 CA LEU A 57 -1.938 2.555 3.614 1.00 0.00 C ATOM 829 C LEU A 57 -2.584 2.138 2.298 1.00 0.00 C ATOM 830 O LEU A 57 -3.731 2.444 1.994 1.00 0.00 O ATOM 831 CB LEU A 57 -2.111 1.529 4.746 1.00 0.00 C ATOM 832 CG LEU A 57 -3.564 1.373 5.277 1.00 0.00 C ATOM 833 CD1 LEU A 57 -3.984 -0.127 5.204 1.00 0.00 C ATOM 834 CD2 LEU A 57 -4.075 2.427 6.275 1.00 0.00 C ATOM 0 H LEU A 57 -3.415 4.074 3.687 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.855 2.592 3.497 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.764 0.558 4.392 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.466 1.815 5.577 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.357 1.793 4.658 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.003 -0.238 5.576 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.936 -0.468 4.170 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.307 -0.724 5.815 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.101 2.192 6.559 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.443 2.424 7.163 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.043 3.413 5.811 1.00 0.00 H new ATOM 846 N ILE A 58 -1.719 1.414 1.548 1.00 0.00 N ATOM 847 CA ILE A 58 -2.033 0.896 0.231 1.00 0.00 C ATOM 848 C ILE A 58 -1.619 -0.582 0.269 1.00 0.00 C ATOM 849 O ILE A 58 -0.670 -0.967 0.939 1.00 0.00 O ATOM 850 CB ILE A 58 -1.300 1.742 -0.876 1.00 0.00 C ATOM 851 CG1 ILE A 58 -1.019 3.247 -0.580 1.00 0.00 C ATOM 852 CG2 ILE A 58 -1.505 1.051 -2.263 1.00 0.00 C ATOM 853 CD1 ILE A 58 0.116 3.684 0.389 1.00 0.00 C ATOM 0 H ILE A 58 -0.777 1.180 1.861 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.090 0.971 -0.025 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.211 1.779 -0.891 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.820 3.727 -1.538 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.946 3.673 -0.196 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.000 1.630 -3.036 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.088 0.044 -2.233 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.570 0.996 -2.488 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.141 4.772 0.453 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.069 3.266 1.378 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.073 3.321 0.015 1.00 0.00 H new ATOM 865 N CYS A 59 -2.406 -1.378 -0.492 1.00 0.00 N ATOM 866 CA CYS A 59 -2.190 -2.814 -0.585 1.00 0.00 C ATOM 867 C CYS A 59 -2.684 -3.215 -1.974 1.00 0.00 C ATOM 868 O CYS A 59 -3.821 -2.947 -2.339 1.00 0.00 O ATOM 869 CB CYS A 59 -3.008 -3.540 0.500 1.00 0.00 C ATOM 870 SG CYS A 59 -3.111 -5.335 0.261 1.00 0.00 S ATOM 0 H CYS A 59 -3.192 -1.036 -1.045 1.00 0.00 H new ATOM 0 HA CYS A 59 -1.143 -3.078 -0.438 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -2.562 -3.338 1.474 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -4.017 -3.127 0.519 1.00 0.00 H new ATOM 0 HG CYS A 59 -1.932 -5.861 0.413 1.00 0.00 H new ATOM 876 N VAL A 60 -1.778 -3.889 -2.724 1.00 0.00 N ATOM 877 CA VAL A 60 -2.162 -4.336 -4.065 1.00 0.00 C ATOM 878 C VAL A 60 -2.529 -5.819 -3.983 1.00 0.00 C ATOM 879 O VAL A 60 -2.504 -6.431 -2.921 1.00 0.00 O ATOM 880 CB VAL A 60 -1.032 -4.126 -5.124 1.00 0.00 C ATOM 881 CG1 VAL A 60 0.209 -5.025 -4.798 1.00 0.00 C ATOM 882 CG2 VAL A 60 -1.408 -3.518 -6.504 1.00 0.00 C ATOM 0 H VAL A 60 -0.828 -4.121 -2.435 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.008 -3.734 -4.396 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.510 -3.169 -5.117 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.983 -4.863 -5.548 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.598 -4.765 -3.813 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.089 -6.073 -4.806 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.514 -3.438 -7.122 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.135 -4.162 -6.999 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.839 -2.527 -6.360 1.00 0.00 H new ATOM 892 N SER A 61 -2.860 -6.343 -5.184 1.00 0.00 N ATOM 893 CA SER A 61 -3.195 -7.745 -5.304 1.00 0.00 C ATOM 894 C SER A 61 -2.459 -8.252 -6.554 1.00 0.00 C ATOM 895 O SER A 61 -2.912 -8.097 -7.679 1.00 0.00 O ATOM 896 CB SER A 61 -4.738 -8.009 -5.274 1.00 0.00 C ATOM 897 OG SER A 61 -5.710 -6.890 -5.293 1.00 0.00 O ATOM 0 H SER A 61 -2.897 -5.815 -6.056 1.00 0.00 H new ATOM 0 HA SER A 61 -2.861 -8.318 -4.439 1.00 0.00 H new ATOM 0 HB2 SER A 61 -4.969 -8.645 -6.129 1.00 0.00 H new ATOM 0 HB3 SER A 61 -4.943 -8.593 -4.377 1.00 0.00 H new ATOM 0 HG SER A 61 -5.275 -6.085 -5.644 1.00 0.00 H new ATOM 903 N SER A 62 -1.284 -8.861 -6.258 1.00 0.00 N ATOM 904 CA SER A 62 -0.409 -9.481 -7.252 1.00 0.00 C ATOM 905 C SER A 62 1.004 -9.493 -6.659 1.00 0.00 C ATOM 906 O SER A 62 1.378 -8.662 -5.839 1.00 0.00 O ATOM 907 CB SER A 62 -0.420 -8.834 -8.676 1.00 0.00 C ATOM 908 OG SER A 62 -0.391 -7.365 -8.851 1.00 0.00 O ATOM 0 H SER A 62 -0.924 -8.930 -5.306 1.00 0.00 H new ATOM 0 HA SER A 62 -0.792 -10.484 -7.441 1.00 0.00 H new ATOM 0 HB2 SER A 62 0.438 -9.236 -9.215 1.00 0.00 H new ATOM 0 HB3 SER A 62 -1.313 -9.197 -9.184 1.00 0.00 H new ATOM 0 HG SER A 62 0.334 -6.986 -8.311 1.00 0.00 H new ATOM 914 N LEU A 63 1.754 -10.512 -7.157 1.00 0.00 N ATOM 915 CA LEU A 63 3.139 -10.784 -6.818 1.00 0.00 C ATOM 916 C LEU A 63 3.925 -9.591 -7.365 1.00 0.00 C ATOM 917 O LEU A 63 3.814 -8.481 -6.856 1.00 0.00 O ATOM 918 CB LEU A 63 3.589 -12.146 -7.389 1.00 0.00 C ATOM 919 CG LEU A 63 2.847 -13.377 -6.781 1.00 0.00 C ATOM 920 CD1 LEU A 63 3.532 -14.670 -7.312 1.00 0.00 C ATOM 921 CD2 LEU A 63 2.014 -13.385 -5.482 1.00 0.00 C ATOM 0 H LEU A 63 1.378 -11.180 -7.829 1.00 0.00 H new ATOM 0 HA LEU A 63 3.305 -10.879 -5.745 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.437 -12.142 -8.468 1.00 0.00 H new ATOM 0 HB3 LEU A 63 4.659 -12.262 -7.219 1.00 0.00 H new ATOM 0 HG LEU A 63 1.809 -13.247 -7.088 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.029 -15.544 -6.899 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.469 -14.695 -8.400 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.579 -14.678 -7.009 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.617 -14.386 -5.310 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.646 -13.097 -4.642 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.189 -12.678 -5.574 1.00 0.00 H new ATOM 933 N TYR A 64 4.721 -9.874 -8.422 1.00 0.00 N ATOM 934 CA TYR A 64 5.496 -8.852 -9.078 1.00 0.00 C ATOM 935 C TYR A 64 4.644 -8.413 -10.269 1.00 0.00 C ATOM 936 O TYR A 64 4.945 -8.630 -11.436 1.00 0.00 O ATOM 937 CB TYR A 64 6.947 -9.277 -9.421 1.00 0.00 C ATOM 938 CG TYR A 64 7.927 -8.512 -8.566 1.00 0.00 C ATOM 939 CD1 TYR A 64 7.855 -7.126 -8.511 1.00 0.00 C ATOM 940 CD2 TYR A 64 8.867 -9.162 -7.778 1.00 0.00 C ATOM 941 CE1 TYR A 64 8.647 -6.396 -7.645 1.00 0.00 C ATOM 942 CE2 TYR A 64 9.685 -8.440 -6.918 1.00 0.00 C ATOM 943 CZ TYR A 64 9.573 -7.051 -6.820 1.00 0.00 C ATOM 944 OH TYR A 64 10.339 -6.380 -5.867 1.00 0.00 O ATOM 0 H TYR A 64 4.828 -10.806 -8.821 1.00 0.00 H new ATOM 0 HA TYR A 64 5.689 -8.007 -8.417 1.00 0.00 H new ATOM 0 HB2 TYR A 64 7.069 -10.348 -9.258 1.00 0.00 H new ATOM 0 HB3 TYR A 64 7.149 -9.090 -10.476 1.00 0.00 H new ATOM 0 HD1 TYR A 64 7.165 -6.607 -9.160 1.00 0.00 H new ATOM 0 HD2 TYR A 64 8.963 -10.236 -7.834 1.00 0.00 H new ATOM 0 HE1 TYR A 64 8.553 -5.321 -7.604 1.00 0.00 H new ATOM 0 HE2 TYR A 64 10.417 -8.959 -6.317 1.00 0.00 H new ATOM 0 HH TYR A 64 10.169 -5.417 -5.930 1.00 0.00 H new ATOM 954 N GLY A 65 3.549 -7.768 -9.828 1.00 0.00 N ATOM 955 CA GLY A 65 2.529 -7.177 -10.664 1.00 0.00 C ATOM 956 C GLY A 65 2.319 -5.775 -10.100 1.00 0.00 C ATOM 957 O GLY A 65 1.233 -5.369 -9.712 1.00 0.00 O ATOM 0 H GLY A 65 3.358 -7.648 -8.833 1.00 0.00 H new ATOM 0 HA2 GLY A 65 2.846 -7.140 -11.706 1.00 0.00 H new ATOM 0 HA3 GLY A 65 1.607 -7.758 -10.632 1.00 0.00 H new ATOM 961 N GLN A 66 3.478 -5.090 -10.063 1.00 0.00 N ATOM 962 CA GLN A 66 3.550 -3.732 -9.559 1.00 0.00 C ATOM 963 C GLN A 66 4.927 -3.172 -9.969 1.00 0.00 C ATOM 964 O GLN A 66 5.106 -1.973 -10.145 1.00 0.00 O ATOM 965 CB GLN A 66 3.286 -3.665 -8.040 1.00 0.00 C ATOM 966 CG GLN A 66 4.311 -4.433 -7.187 1.00 0.00 C ATOM 967 CD GLN A 66 4.081 -4.197 -5.685 1.00 0.00 C ATOM 968 OE1 GLN A 66 3.196 -3.459 -5.269 1.00 0.00 O ATOM 969 NE2 GLN A 66 4.948 -4.870 -4.907 1.00 0.00 N ATOM 0 H GLN A 66 4.371 -5.468 -10.380 1.00 0.00 H new ATOM 0 HA GLN A 66 2.764 -3.113 -9.992 1.00 0.00 H new ATOM 0 HB2 GLN A 66 3.281 -2.620 -7.729 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.291 -4.062 -7.838 1.00 0.00 H new ATOM 0 HG2 GLN A 66 4.241 -5.499 -7.404 1.00 0.00 H new ATOM 0 HG3 GLN A 66 5.319 -4.118 -7.456 1.00 0.00 H new ATOM 0 HE21 GLN A 66 5.658 -5.466 -5.332 1.00 0.00 H new ATOM 0 HE22 GLN A 66 4.895 -4.784 -3.892 1.00 0.00 H new ATOM 978 N GLY A 67 5.881 -4.116 -10.100 1.00 0.00 N ATOM 979 CA GLY A 67 7.247 -3.816 -10.504 1.00 0.00 C ATOM 980 C GLY A 67 8.070 -3.157 -9.392 1.00 0.00 C ATOM 981 O GLY A 67 7.619 -2.944 -8.273 1.00 0.00 O ATOM 0 H GLY A 67 5.713 -5.107 -9.925 1.00 0.00 H new ATOM 0 HA2 GLY A 67 7.739 -4.738 -10.815 1.00 0.00 H new ATOM 0 HA3 GLY A 67 7.227 -3.157 -11.372 1.00 0.00 H new ATOM 985 N GLU A 68 9.313 -2.838 -9.822 1.00 0.00 N ATOM 986 CA GLU A 68 10.316 -2.196 -8.985 1.00 0.00 C ATOM 987 C GLU A 68 9.960 -0.696 -8.861 1.00 0.00 C ATOM 988 O GLU A 68 10.630 0.042 -8.148 1.00 0.00 O ATOM 989 CB GLU A 68 11.710 -2.379 -9.615 1.00 0.00 C ATOM 990 CG GLU A 68 12.305 -3.767 -9.334 1.00 0.00 C ATOM 991 CD GLU A 68 13.552 -4.015 -10.199 1.00 0.00 C ATOM 992 OE1 GLU A 68 14.638 -3.587 -9.807 1.00 0.00 O ATOM 993 OE2 GLU A 68 13.425 -4.636 -11.255 1.00 0.00 O ATOM 0 H GLU A 68 9.637 -3.027 -10.771 1.00 0.00 H new ATOM 0 HA GLU A 68 10.332 -2.646 -7.992 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.641 -2.228 -10.692 1.00 0.00 H new ATOM 0 HB3 GLU A 68 12.383 -1.614 -9.229 1.00 0.00 H new ATOM 0 HG2 GLU A 68 12.567 -3.848 -8.279 1.00 0.00 H new ATOM 0 HG3 GLU A 68 11.558 -4.535 -9.537 1.00 0.00 H new ATOM 1000 N ILE A 69 8.887 -0.284 -9.578 1.00 0.00 N ATOM 1001 CA ILE A 69 8.402 1.087 -9.578 1.00 0.00 C ATOM 1002 C ILE A 69 7.769 1.294 -8.197 1.00 0.00 C ATOM 1003 O ILE A 69 8.101 2.216 -7.465 1.00 0.00 O ATOM 1004 CB ILE A 69 7.369 1.327 -10.738 1.00 0.00 C ATOM 1005 CG1 ILE A 69 7.308 0.230 -11.866 1.00 0.00 C ATOM 1006 CG2 ILE A 69 6.443 2.556 -10.424 1.00 0.00 C ATOM 1007 CD1 ILE A 69 8.593 0.280 -12.702 1.00 0.00 C ATOM 0 H ILE A 69 8.341 -0.909 -10.171 1.00 0.00 H new ATOM 0 HA ILE A 69 9.206 1.802 -9.755 1.00 0.00 H new ATOM 0 HB ILE A 69 7.234 1.639 -11.774 1.00 0.00 H new ATOM 0 HG12 ILE A 69 7.190 -0.758 -11.421 1.00 0.00 H new ATOM 0 HG13 ILE A 69 6.440 0.398 -12.504 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.738 2.699 -11.243 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.894 2.371 -9.501 1.00 0.00 H new ATOM 0 HG23 ILE A 69 7.053 3.452 -10.310 1.00 0.00 H new ATOM 0 HD11 ILE A 69 8.549 -0.480 -13.482 1.00 0.00 H new ATOM 0 HD12 ILE A 69 8.691 1.264 -13.159 1.00 0.00 H new ATOM 0 HD13 ILE A 69 9.453 0.091 -12.059 1.00 0.00 H new ATOM 1019 N ASP A 70 6.848 0.352 -7.903 1.00 0.00 N ATOM 1020 CA ASP A 70 6.083 0.366 -6.671 1.00 0.00 C ATOM 1021 C ASP A 70 6.990 -0.064 -5.512 1.00 0.00 C ATOM 1022 O ASP A 70 6.703 0.266 -4.369 1.00 0.00 O ATOM 1023 CB ASP A 70 4.852 -0.554 -6.808 1.00 0.00 C ATOM 1024 CG ASP A 70 3.786 0.031 -7.754 1.00 0.00 C ATOM 1025 OD1 ASP A 70 4.149 0.688 -8.726 1.00 0.00 O ATOM 1026 OD2 ASP A 70 2.597 -0.171 -7.505 1.00 0.00 O ATOM 0 H ASP A 70 6.626 -0.429 -8.520 1.00 0.00 H new ATOM 0 HA ASP A 70 5.718 1.372 -6.464 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.169 -1.528 -7.180 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.412 -0.716 -5.824 1.00 0.00 H new ATOM 1031 N CYS A 71 8.090 -0.791 -5.830 1.00 0.00 N ATOM 1032 CA CYS A 71 8.984 -1.230 -4.766 1.00 0.00 C ATOM 1033 C CYS A 71 9.667 0.016 -4.211 1.00 0.00 C ATOM 1034 O CYS A 71 9.443 0.378 -3.066 1.00 0.00 O ATOM 1035 CB CYS A 71 9.996 -2.275 -5.249 1.00 0.00 C ATOM 1036 SG CYS A 71 9.151 -3.755 -5.822 1.00 0.00 S ATOM 0 H CYS A 71 8.359 -1.068 -6.774 1.00 0.00 H new ATOM 0 HA CYS A 71 8.416 -1.731 -3.983 1.00 0.00 H new ATOM 0 HB2 CYS A 71 10.600 -1.859 -6.055 1.00 0.00 H new ATOM 0 HB3 CYS A 71 10.679 -2.530 -4.438 1.00 0.00 H new ATOM 0 HG CYS A 71 8.347 -3.446 -6.796 1.00 0.00 H new ATOM 1042 N LYS A 72 10.472 0.669 -5.083 1.00 0.00 N ATOM 1043 CA LYS A 72 11.207 1.859 -4.673 1.00 0.00 C ATOM 1044 C LYS A 72 10.360 3.109 -4.937 1.00 0.00 C ATOM 1045 O LYS A 72 10.883 4.197 -5.141 1.00 0.00 O ATOM 1046 CB LYS A 72 12.571 1.900 -5.388 1.00 0.00 C ATOM 1047 CG LYS A 72 13.501 0.763 -4.943 1.00 0.00 C ATOM 1048 CD LYS A 72 14.780 0.667 -5.788 1.00 0.00 C ATOM 1049 CE LYS A 72 14.546 0.042 -7.171 1.00 0.00 C ATOM 1050 NZ LYS A 72 14.138 -1.356 -7.099 1.00 0.00 N ATOM 0 H LYS A 72 10.618 0.388 -6.053 1.00 0.00 H new ATOM 0 HA LYS A 72 11.407 1.829 -3.602 1.00 0.00 H new ATOM 0 HB2 LYS A 72 12.415 1.838 -6.465 1.00 0.00 H new ATOM 0 HB3 LYS A 72 13.053 2.858 -5.191 1.00 0.00 H new ATOM 0 HG2 LYS A 72 13.773 0.912 -3.898 1.00 0.00 H new ATOM 0 HG3 LYS A 72 12.962 -0.183 -5.001 1.00 0.00 H new ATOM 0 HD2 LYS A 72 15.200 1.665 -5.914 1.00 0.00 H new ATOM 0 HD3 LYS A 72 15.520 0.075 -5.249 1.00 0.00 H new ATOM 0 HE2 LYS A 72 13.780 0.612 -7.697 1.00 0.00 H new ATOM 0 HE3 LYS A 72 15.461 0.119 -7.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 14.207 -1.787 -8.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 14.760 -1.866 -6.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 13.155 -1.414 -6.763 1.00 0.00 H new ATOM 1063 N GLY A 73 9.037 2.903 -4.897 1.00 0.00 N ATOM 1064 CA GLY A 73 8.074 3.975 -5.098 1.00 0.00 C ATOM 1065 C GLY A 73 7.618 4.502 -3.741 1.00 0.00 C ATOM 1066 O GLY A 73 7.474 5.698 -3.523 1.00 0.00 O ATOM 0 H GLY A 73 8.614 1.991 -4.725 1.00 0.00 H new ATOM 0 HA2 GLY A 73 8.523 4.779 -5.681 1.00 0.00 H new ATOM 0 HA3 GLY A 73 7.218 3.609 -5.666 1.00 0.00 H new ATOM 1070 N LEU A 74 7.426 3.504 -2.851 1.00 0.00 N ATOM 1071 CA LEU A 74 6.981 3.743 -1.495 1.00 0.00 C ATOM 1072 C LEU A 74 8.215 3.979 -0.611 1.00 0.00 C ATOM 1073 O LEU A 74 8.116 4.594 0.444 1.00 0.00 O ATOM 1074 CB LEU A 74 6.152 2.536 -1.027 1.00 0.00 C ATOM 1075 CG LEU A 74 5.098 2.112 -2.124 1.00 0.00 C ATOM 1076 CD1 LEU A 74 4.385 0.762 -2.529 1.00 0.00 C ATOM 1077 CD2 LEU A 74 4.085 3.272 -2.242 1.00 0.00 C ATOM 0 H LEU A 74 7.579 2.519 -3.069 1.00 0.00 H new ATOM 0 HA LEU A 74 6.347 4.627 -1.432 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.814 1.698 -0.811 1.00 0.00 H new ATOM 0 HB3 LEU A 74 5.637 2.783 -0.099 1.00 0.00 H new ATOM 0 HG LEU A 74 5.907 1.809 -2.789 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.715 0.942 -3.369 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.136 0.026 -2.815 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.812 0.385 -1.682 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.334 3.024 -2.992 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.599 3.430 -1.279 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.607 4.182 -2.538 1.00 0.00 H new ATOM 1089 N ARG A 75 9.378 3.469 -1.077 1.00 0.00 N ATOM 1090 CA ARG A 75 10.610 3.664 -0.320 1.00 0.00 C ATOM 1091 C ARG A 75 11.065 5.102 -0.628 1.00 0.00 C ATOM 1092 O ARG A 75 11.728 5.739 0.179 1.00 0.00 O ATOM 1093 CB ARG A 75 11.676 2.617 -0.694 1.00 0.00 C ATOM 1094 CG ARG A 75 11.155 1.174 -0.628 1.00 0.00 C ATOM 1095 CD ARG A 75 11.017 0.558 0.776 1.00 0.00 C ATOM 1096 NE ARG A 75 9.960 -0.456 0.839 1.00 0.00 N ATOM 1097 CZ ARG A 75 9.771 -1.458 -0.060 1.00 0.00 C ATOM 1098 NH1 ARG A 75 10.618 -1.694 -1.057 1.00 0.00 N ATOM 1099 NH2 ARG A 75 8.707 -2.242 0.056 1.00 0.00 N ATOM 0 H ARG A 75 9.478 2.940 -1.943 1.00 0.00 H new ATOM 0 HA ARG A 75 10.451 3.530 0.750 1.00 0.00 H new ATOM 0 HB2 ARG A 75 12.038 2.820 -1.702 1.00 0.00 H new ATOM 0 HB3 ARG A 75 12.528 2.720 -0.023 1.00 0.00 H new ATOM 0 HG2 ARG A 75 10.179 1.141 -1.113 1.00 0.00 H new ATOM 0 HG3 ARG A 75 11.823 0.543 -1.214 1.00 0.00 H new ATOM 0 HD2 ARG A 75 11.966 0.108 1.068 1.00 0.00 H new ATOM 0 HD3 ARG A 75 10.803 1.347 1.497 1.00 0.00 H new ATOM 0 HE ARG A 75 9.311 -0.405 1.624 1.00 0.00 H new ATOM 0 HH11 ARG A 75 11.448 -1.112 -1.169 1.00 0.00 H new ATOM 0 HH12 ARG A 75 10.438 -2.457 -1.710 1.00 0.00 H new ATOM 0 HH21 ARG A 75 8.041 -2.090 0.814 1.00 0.00 H new ATOM 0 HH22 ARG A 75 8.555 -2.997 -0.613 1.00 0.00 H new ATOM 1113 N GLU A 76 10.652 5.572 -1.834 1.00 0.00 N ATOM 1114 CA GLU A 76 10.953 6.919 -2.283 1.00 0.00 C ATOM 1115 C GLU A 76 9.950 7.864 -1.591 1.00 0.00 C ATOM 1116 O GLU A 76 10.255 9.029 -1.383 1.00 0.00 O ATOM 1117 CB GLU A 76 10.847 6.987 -3.817 1.00 0.00 C ATOM 1118 CG GLU A 76 11.051 8.397 -4.394 1.00 0.00 C ATOM 1119 CD GLU A 76 10.991 8.363 -5.930 1.00 0.00 C ATOM 1120 OE1 GLU A 76 9.890 8.423 -6.478 1.00 0.00 O ATOM 1121 OE2 GLU A 76 12.043 8.278 -6.562 1.00 0.00 O ATOM 0 H GLU A 76 10.110 5.022 -2.500 1.00 0.00 H new ATOM 0 HA GLU A 76 11.969 7.216 -2.022 1.00 0.00 H new ATOM 0 HB2 GLU A 76 11.588 6.316 -4.253 1.00 0.00 H new ATOM 0 HB3 GLU A 76 9.867 6.619 -4.120 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.284 9.069 -4.009 1.00 0.00 H new ATOM 0 HG3 GLU A 76 12.013 8.793 -4.070 1.00 0.00 H new ATOM 1128 N LYS A 77 8.759 7.314 -1.240 1.00 0.00 N ATOM 1129 CA LYS A 77 7.695 8.052 -0.585 1.00 0.00 C ATOM 1130 C LYS A 77 8.057 8.252 0.908 1.00 0.00 C ATOM 1131 O LYS A 77 7.464 9.074 1.596 1.00 0.00 O ATOM 1132 CB LYS A 77 6.416 7.210 -0.727 1.00 0.00 C ATOM 1133 CG LYS A 77 5.118 7.877 -0.282 1.00 0.00 C ATOM 1134 CD LYS A 77 3.965 6.867 -0.296 1.00 0.00 C ATOM 1135 CE LYS A 77 2.652 7.492 0.157 1.00 0.00 C ATOM 1136 NZ LYS A 77 2.139 8.457 -0.803 1.00 0.00 N ATOM 0 H LYS A 77 8.527 6.336 -1.414 1.00 0.00 H new ATOM 0 HA LYS A 77 7.551 9.036 -1.031 1.00 0.00 H new ATOM 0 HB2 LYS A 77 6.311 6.920 -1.772 1.00 0.00 H new ATOM 0 HB3 LYS A 77 6.544 6.292 -0.153 1.00 0.00 H new ATOM 0 HG2 LYS A 77 5.238 8.287 0.721 1.00 0.00 H new ATOM 0 HG3 LYS A 77 4.886 8.712 -0.943 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.847 6.466 -1.303 1.00 0.00 H new ATOM 0 HD3 LYS A 77 4.210 6.028 0.355 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.912 6.706 0.310 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.799 7.983 1.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.541 9.151 -0.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.934 8.947 -1.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.575 7.963 -1.524 1.00 0.00 H new ATOM 1149 N CYS A 78 9.036 7.443 1.373 1.00 0.00 N ATOM 1150 CA CYS A 78 9.505 7.452 2.753 1.00 0.00 C ATOM 1151 C CYS A 78 10.635 8.444 2.836 1.00 0.00 C ATOM 1152 O CYS A 78 10.730 9.302 3.706 1.00 0.00 O ATOM 1153 CB CYS A 78 9.894 6.042 3.220 1.00 0.00 C ATOM 1154 SG CYS A 78 10.591 6.029 4.890 1.00 0.00 S ATOM 0 H CYS A 78 9.519 6.764 0.785 1.00 0.00 H new ATOM 0 HA CYS A 78 8.713 7.761 3.435 1.00 0.00 H new ATOM 0 HB2 CYS A 78 9.015 5.399 3.192 1.00 0.00 H new ATOM 0 HB3 CYS A 78 10.619 5.620 2.524 1.00 0.00 H new ATOM 0 HG CYS A 78 10.378 4.871 5.440 1.00 0.00 H new ATOM 1160 N ASP A 79 11.457 8.235 1.812 1.00 0.00 N ATOM 1161 CA ASP A 79 12.644 8.996 1.526 1.00 0.00 C ATOM 1162 C ASP A 79 12.236 10.393 1.033 1.00 0.00 C ATOM 1163 O ASP A 79 13.069 11.268 0.830 1.00 0.00 O ATOM 1164 CB ASP A 79 13.599 8.221 0.597 1.00 0.00 C ATOM 1165 CG ASP A 79 14.968 8.911 0.462 1.00 0.00 C ATOM 1166 OD1 ASP A 79 15.751 8.858 1.411 1.00 0.00 O ATOM 1167 OD2 ASP A 79 15.238 9.493 -0.589 1.00 0.00 O ATOM 0 H ASP A 79 11.295 7.491 1.133 1.00 0.00 H new ATOM 0 HA ASP A 79 13.232 9.149 2.431 1.00 0.00 H new ATOM 0 HB2 ASP A 79 13.740 7.212 0.984 1.00 0.00 H new ATOM 0 HB3 ASP A 79 13.144 8.124 -0.389 1.00 0.00 H new ATOM 1172 N GLU A 80 10.913 10.545 0.883 1.00 0.00 N ATOM 1173 CA GLU A 80 10.297 11.785 0.484 1.00 0.00 C ATOM 1174 C GLU A 80 10.245 12.617 1.760 1.00 0.00 C ATOM 1175 O GLU A 80 10.741 13.734 1.837 1.00 0.00 O ATOM 1176 CB GLU A 80 8.883 11.624 -0.110 1.00 0.00 C ATOM 1177 CG GLU A 80 8.242 12.970 -0.489 1.00 0.00 C ATOM 1178 CD GLU A 80 8.954 13.618 -1.687 1.00 0.00 C ATOM 1179 OE1 GLU A 80 8.666 13.233 -2.821 1.00 0.00 O ATOM 1180 OE2 GLU A 80 9.786 14.500 -1.475 1.00 0.00 O ATOM 0 H GLU A 80 10.245 9.790 1.041 1.00 0.00 H new ATOM 0 HA GLU A 80 10.873 12.246 -0.318 1.00 0.00 H new ATOM 0 HB2 GLU A 80 8.935 10.989 -0.994 1.00 0.00 H new ATOM 0 HB3 GLU A 80 8.246 11.113 0.612 1.00 0.00 H new ATOM 0 HG2 GLU A 80 7.190 12.818 -0.729 1.00 0.00 H new ATOM 0 HG3 GLU A 80 8.279 13.645 0.366 1.00 0.00 H new ATOM 1187 N ALA A 81 9.586 11.958 2.738 1.00 0.00 N ATOM 1188 CA ALA A 81 9.356 12.499 4.070 1.00 0.00 C ATOM 1189 C ALA A 81 8.476 13.749 3.889 1.00 0.00 C ATOM 1190 O ALA A 81 8.745 14.815 4.429 1.00 0.00 O ATOM 1191 CB ALA A 81 10.675 12.785 4.811 1.00 0.00 C ATOM 0 H ALA A 81 9.199 11.023 2.610 1.00 0.00 H new ATOM 0 HA ALA A 81 8.845 11.776 4.706 1.00 0.00 H new ATOM 0 HB1 ALA A 81 10.457 13.187 5.800 1.00 0.00 H new ATOM 0 HB2 ALA A 81 11.243 11.860 4.913 1.00 0.00 H new ATOM 0 HB3 ALA A 81 11.260 13.510 4.245 1.00 0.00 H new ATOM 1197 N GLY A 82 7.417 13.527 3.081 1.00 0.00 N ATOM 1198 CA GLY A 82 6.458 14.576 2.759 1.00 0.00 C ATOM 1199 C GLY A 82 5.121 13.952 2.349 1.00 0.00 C ATOM 1200 O GLY A 82 4.054 14.406 2.745 1.00 0.00 O ATOM 0 H GLY A 82 7.215 12.627 2.646 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.316 15.228 3.621 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.843 15.197 1.950 1.00 0.00 H new ATOM 1204 N LEU A 83 5.257 12.878 1.538 1.00 0.00 N ATOM 1205 CA LEU A 83 4.097 12.143 1.061 1.00 0.00 C ATOM 1206 C LEU A 83 3.704 11.224 2.224 1.00 0.00 C ATOM 1207 O LEU A 83 4.495 10.420 2.706 1.00 0.00 O ATOM 1208 CB LEU A 83 4.459 11.334 -0.194 1.00 0.00 C ATOM 1209 CG LEU A 83 4.724 12.215 -1.457 1.00 0.00 C ATOM 1210 CD1 LEU A 83 5.658 11.430 -2.426 1.00 0.00 C ATOM 1211 CD2 LEU A 83 3.774 13.328 -1.950 1.00 0.00 C ATOM 0 H LEU A 83 6.153 12.516 1.212 1.00 0.00 H new ATOM 0 HA LEU A 83 3.275 12.799 0.776 1.00 0.00 H new ATOM 0 HB2 LEU A 83 5.347 10.737 0.014 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.650 10.637 -0.412 1.00 0.00 H new ATOM 0 HG LEU A 83 5.211 13.126 -1.108 1.00 0.00 H new ATOM 0 HD11 LEU A 83 5.852 12.033 -3.313 1.00 0.00 H new ATOM 0 HD12 LEU A 83 6.600 11.209 -1.924 1.00 0.00 H new ATOM 0 HD13 LEU A 83 5.176 10.497 -2.720 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.188 13.789 -2.847 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.799 12.899 -2.180 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.664 14.083 -1.172 1.00 0.00 H new ATOM 1223 N LYS A 84 2.429 11.409 2.632 1.00 0.00 N ATOM 1224 CA LYS A 84 1.846 10.658 3.733 1.00 0.00 C ATOM 1225 C LYS A 84 1.552 9.265 3.170 1.00 0.00 C ATOM 1226 O LYS A 84 0.924 9.111 2.130 1.00 0.00 O ATOM 1227 CB LYS A 84 0.612 11.419 4.283 1.00 0.00 C ATOM 1228 CG LYS A 84 -0.741 10.680 4.269 1.00 0.00 C ATOM 1229 CD LYS A 84 -0.907 9.555 5.304 1.00 0.00 C ATOM 1230 CE LYS A 84 -0.703 10.015 6.750 1.00 0.00 C ATOM 1231 NZ LYS A 84 -1.095 8.995 7.716 1.00 0.00 N ATOM 0 H LYS A 84 1.792 12.080 2.203 1.00 0.00 H new ATOM 0 HA LYS A 84 2.504 10.549 4.595 1.00 0.00 H new ATOM 0 HB2 LYS A 84 0.826 11.710 5.311 1.00 0.00 H new ATOM 0 HB3 LYS A 84 0.500 12.338 3.709 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -1.533 11.412 4.427 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.891 10.257 3.276 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -1.905 9.127 5.205 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.195 8.760 5.081 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.345 10.273 6.902 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -1.283 10.921 6.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -1.036 9.387 8.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -2.072 8.693 7.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.458 8.177 7.635 1.00 0.00 H new ATOM 1244 N GLY A 85 2.068 8.283 3.941 1.00 0.00 N ATOM 1245 CA GLY A 85 1.930 6.869 3.632 1.00 0.00 C ATOM 1246 C GLY A 85 3.305 6.203 3.739 1.00 0.00 C ATOM 1247 O GLY A 85 4.214 6.483 2.966 1.00 0.00 O ATOM 0 H GLY A 85 2.592 8.465 4.797 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.229 6.399 4.321 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.525 6.740 2.628 1.00 0.00 H new ATOM 1251 N ILE A 86 3.388 5.314 4.751 1.00 0.00 N ATOM 1252 CA ILE A 86 4.617 4.580 5.018 1.00 0.00 C ATOM 1253 C ILE A 86 4.195 3.201 5.536 1.00 0.00 C ATOM 1254 O ILE A 86 4.842 2.621 6.400 1.00 0.00 O ATOM 1255 CB ILE A 86 5.514 5.321 6.061 1.00 0.00 C ATOM 1256 CG1 ILE A 86 7.030 5.031 5.974 1.00 0.00 C ATOM 1257 CG2 ILE A 86 4.652 5.802 7.275 1.00 0.00 C ATOM 1258 CD1 ILE A 86 7.895 5.631 7.101 1.00 0.00 C ATOM 0 H ILE A 86 2.619 5.097 5.385 1.00 0.00 H new ATOM 0 HA ILE A 86 5.218 4.494 4.112 1.00 0.00 H new ATOM 0 HB ILE A 86 5.921 6.321 5.914 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.174 3.951 5.968 1.00 0.00 H new ATOM 0 HG13 ILE A 86 7.398 5.407 5.020 1.00 0.00 H new ATOM 0 HG21 ILE A 86 5.290 6.316 7.993 1.00 0.00 H new ATOM 0 HG22 ILE A 86 3.878 6.484 6.924 1.00 0.00 H new ATOM 0 HG23 ILE A 86 4.187 4.941 7.755 1.00 0.00 H new ATOM 0 HD11 ILE A 86 8.939 5.365 6.939 1.00 0.00 H new ATOM 0 HD12 ILE A 86 7.793 6.716 7.100 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.565 5.237 8.062 1.00 0.00 H new ATOM 1270 N LYS A 87 3.075 2.719 4.957 1.00 0.00 N ATOM 1271 CA LYS A 87 2.522 1.425 5.310 1.00 0.00 C ATOM 1272 C LYS A 87 2.048 0.866 3.979 1.00 0.00 C ATOM 1273 O LYS A 87 1.113 1.367 3.369 1.00 0.00 O ATOM 1274 CB LYS A 87 1.337 1.566 6.268 1.00 0.00 C ATOM 1275 CG LYS A 87 1.698 2.117 7.652 1.00 0.00 C ATOM 1276 CD LYS A 87 2.582 1.156 8.453 1.00 0.00 C ATOM 1277 CE LYS A 87 2.742 1.581 9.915 1.00 0.00 C ATOM 1278 NZ LYS A 87 3.462 2.841 10.056 1.00 0.00 N ATOM 0 H LYS A 87 2.546 3.220 4.243 1.00 0.00 H new ATOM 0 HA LYS A 87 3.248 0.790 5.818 1.00 0.00 H new ATOM 0 HB2 LYS A 87 0.595 2.221 5.813 1.00 0.00 H new ATOM 0 HB3 LYS A 87 0.868 0.590 6.391 1.00 0.00 H new ATOM 0 HG2 LYS A 87 2.214 3.070 7.537 1.00 0.00 H new ATOM 0 HG3 LYS A 87 0.783 2.315 8.211 1.00 0.00 H new ATOM 0 HD2 LYS A 87 2.152 0.155 8.415 1.00 0.00 H new ATOM 0 HD3 LYS A 87 3.565 1.098 7.986 1.00 0.00 H new ATOM 0 HE2 LYS A 87 1.757 1.676 10.372 1.00 0.00 H new ATOM 0 HE3 LYS A 87 3.272 0.801 10.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 3.543 3.084 11.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 4.413 2.745 9.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 2.944 3.594 9.559 1.00 0.00 H new ATOM 1291 N LEU A 88 2.753 -0.207 3.583 1.00 0.00 N ATOM 1292 CA LEU A 88 2.473 -0.860 2.317 1.00 0.00 C ATOM 1293 C LEU A 88 2.358 -2.336 2.656 1.00 0.00 C ATOM 1294 O LEU A 88 3.345 -3.012 2.910 1.00 0.00 O ATOM 1295 CB LEU A 88 3.614 -0.591 1.318 1.00 0.00 C ATOM 1296 CG LEU A 88 4.126 0.877 1.379 1.00 0.00 C ATOM 1297 CD1 LEU A 88 3.086 1.848 0.747 1.00 0.00 C ATOM 1298 CD2 LEU A 88 5.300 1.322 2.289 1.00 0.00 C ATOM 0 H LEU A 88 3.510 -0.628 4.122 1.00 0.00 H new ATOM 0 HA LEU A 88 1.563 -0.492 1.843 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.441 -1.270 1.525 1.00 0.00 H new ATOM 0 HB3 LEU A 88 3.267 -0.810 0.308 1.00 0.00 H new ATOM 0 HG LEU A 88 5.058 1.005 0.828 1.00 0.00 H new ATOM 0 HD11 LEU A 88 3.463 2.869 0.800 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.920 1.576 -0.295 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.145 1.780 1.294 1.00 0.00 H new ATOM 0 HD21 LEU A 88 5.475 2.390 2.161 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.051 1.118 3.330 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.200 0.771 2.017 1.00 0.00 H new ATOM 1310 N PHE A 89 1.095 -2.805 2.631 1.00 0.00 N ATOM 1311 CA PHE A 89 0.835 -4.199 2.935 1.00 0.00 C ATOM 1312 C PHE A 89 0.690 -4.772 1.526 1.00 0.00 C ATOM 1313 O PHE A 89 -0.388 -4.926 0.964 1.00 0.00 O ATOM 1314 CB PHE A 89 -0.412 -4.274 3.841 1.00 0.00 C ATOM 1315 CG PHE A 89 -0.545 -5.504 4.710 1.00 0.00 C ATOM 1316 CD1 PHE A 89 0.360 -6.567 4.694 1.00 0.00 C ATOM 1317 CD2 PHE A 89 -1.641 -5.585 5.560 1.00 0.00 C ATOM 1318 CE1 PHE A 89 0.153 -7.686 5.491 1.00 0.00 C ATOM 1319 CE2 PHE A 89 -1.846 -6.698 6.365 1.00 0.00 C ATOM 1320 CZ PHE A 89 -0.950 -7.754 6.328 1.00 0.00 C ATOM 0 H PHE A 89 0.270 -2.247 2.409 1.00 0.00 H new ATOM 0 HA PHE A 89 1.584 -4.755 3.499 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.416 -3.397 4.489 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.297 -4.207 3.208 1.00 0.00 H new ATOM 0 HD1 PHE A 89 1.230 -6.519 4.056 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.346 -4.768 5.595 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.854 -8.507 5.458 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.704 -6.740 7.020 1.00 0.00 H new ATOM 0 HZ PHE A 89 -1.110 -8.624 6.947 1.00 0.00 H new ATOM 1330 N VAL A 90 1.885 -5.100 1.004 1.00 0.00 N ATOM 1331 CA VAL A 90 1.965 -5.566 -0.362 1.00 0.00 C ATOM 1332 C VAL A 90 1.801 -7.091 -0.409 1.00 0.00 C ATOM 1333 O VAL A 90 2.657 -7.922 -0.119 1.00 0.00 O ATOM 1334 CB VAL A 90 3.298 -5.006 -0.978 1.00 0.00 C ATOM 1335 CG1 VAL A 90 2.951 -3.756 -1.848 1.00 0.00 C ATOM 1336 CG2 VAL A 90 4.685 -5.101 -0.311 1.00 0.00 C ATOM 0 H VAL A 90 2.774 -5.049 1.501 1.00 0.00 H new ATOM 0 HA VAL A 90 1.151 -5.192 -0.982 1.00 0.00 H new ATOM 0 HB VAL A 90 3.673 -5.845 -1.565 1.00 0.00 H new ATOM 0 HG11 VAL A 90 3.864 -3.352 -2.285 1.00 0.00 H new ATOM 0 HG12 VAL A 90 2.265 -4.046 -2.644 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.481 -2.997 -1.223 1.00 0.00 H new ATOM 0 HG21 VAL A 90 5.431 -4.633 -0.954 1.00 0.00 H new ATOM 0 HG22 VAL A 90 4.662 -4.588 0.651 1.00 0.00 H new ATOM 0 HG23 VAL A 90 4.944 -6.149 -0.158 1.00 0.00 H new ATOM 1346 N GLY A 91 0.544 -7.367 -0.794 1.00 0.00 N ATOM 1347 CA GLY A 91 0.137 -8.744 -0.968 1.00 0.00 C ATOM 1348 C GLY A 91 0.715 -9.256 -2.279 1.00 0.00 C ATOM 1349 O GLY A 91 0.410 -8.773 -3.361 1.00 0.00 O ATOM 0 H GLY A 91 -0.177 -6.670 -0.982 1.00 0.00 H new ATOM 0 HA2 GLY A 91 0.491 -9.352 -0.135 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -0.950 -8.819 -0.978 1.00 0.00 H new ATOM 1353 N GLY A 92 1.585 -10.261 -2.062 1.00 0.00 N ATOM 1354 CA GLY A 92 2.331 -10.892 -3.128 1.00 0.00 C ATOM 1355 C GLY A 92 3.758 -10.352 -3.012 1.00 0.00 C ATOM 1356 O GLY A 92 4.617 -10.962 -2.386 1.00 0.00 O ATOM 0 H GLY A 92 1.779 -10.646 -1.138 1.00 0.00 H new ATOM 0 HA2 GLY A 92 2.314 -11.977 -3.028 1.00 0.00 H new ATOM 0 HA3 GLY A 92 1.901 -10.654 -4.101 1.00 0.00 H new ATOM 1360 N ASN A 93 3.926 -9.164 -3.647 1.00 0.00 N ATOM 1361 CA ASN A 93 5.171 -8.400 -3.663 1.00 0.00 C ATOM 1362 C ASN A 93 6.163 -9.143 -4.572 1.00 0.00 C ATOM 1363 O ASN A 93 6.324 -8.823 -5.742 1.00 0.00 O ATOM 1364 CB ASN A 93 5.692 -8.112 -2.230 1.00 0.00 C ATOM 1365 CG ASN A 93 6.867 -7.118 -2.215 1.00 0.00 C ATOM 1366 OD1 ASN A 93 7.148 -6.428 -3.187 1.00 0.00 O ATOM 1367 ND2 ASN A 93 7.532 -7.102 -1.045 1.00 0.00 N ATOM 0 H ASN A 93 3.175 -8.713 -4.169 1.00 0.00 H new ATOM 0 HA ASN A 93 5.015 -7.405 -4.079 1.00 0.00 H new ATOM 0 HB2 ASN A 93 4.877 -7.715 -1.624 1.00 0.00 H new ATOM 0 HB3 ASN A 93 6.007 -9.047 -1.767 1.00 0.00 H new ATOM 0 HD21 ASN A 93 8.333 -6.483 -0.922 1.00 0.00 H new ATOM 0 HD22 ASN A 93 7.235 -7.709 -0.281 1.00 0.00 H new ATOM 1374 N ILE A 94 6.830 -10.129 -3.941 1.00 0.00 N ATOM 1375 CA ILE A 94 7.810 -10.976 -4.592 1.00 0.00 C ATOM 1376 C ILE A 94 7.523 -12.359 -3.993 1.00 0.00 C ATOM 1377 O ILE A 94 7.326 -12.514 -2.793 1.00 0.00 O ATOM 1378 CB ILE A 94 9.268 -10.458 -4.382 1.00 0.00 C ATOM 1379 CG1 ILE A 94 9.399 -9.117 -3.558 1.00 0.00 C ATOM 1380 CG2 ILE A 94 10.292 -11.601 -4.708 1.00 0.00 C ATOM 1381 CD1 ILE A 94 10.835 -8.573 -3.385 1.00 0.00 C ATOM 0 H ILE A 94 6.692 -10.350 -2.955 1.00 0.00 H new ATOM 0 HA ILE A 94 7.731 -10.992 -5.679 1.00 0.00 H new ATOM 0 HB ILE A 94 9.902 -9.782 -4.956 1.00 0.00 H new ATOM 0 HG12 ILE A 94 8.797 -8.351 -4.047 1.00 0.00 H new ATOM 0 HG13 ILE A 94 8.969 -9.277 -2.569 1.00 0.00 H new ATOM 0 HG21 ILE A 94 11.307 -11.233 -4.560 1.00 0.00 H new ATOM 0 HG22 ILE A 94 10.113 -12.449 -4.047 1.00 0.00 H new ATOM 0 HG23 ILE A 94 10.168 -11.916 -5.744 1.00 0.00 H new ATOM 0 HD11 ILE A 94 10.807 -7.651 -2.805 1.00 0.00 H new ATOM 0 HD12 ILE A 94 11.444 -9.312 -2.864 1.00 0.00 H new ATOM 0 HD13 ILE A 94 11.268 -8.372 -4.365 1.00 0.00 H new ATOM 1393 N VAL A 95 7.502 -13.342 -4.919 1.00 0.00 N ATOM 1394 CA VAL A 95 7.225 -14.733 -4.584 1.00 0.00 C ATOM 1395 C VAL A 95 8.351 -15.282 -3.690 1.00 0.00 C ATOM 1396 O VAL A 95 9.464 -14.771 -3.661 1.00 0.00 O ATOM 1397 CB VAL A 95 7.079 -15.564 -5.902 1.00 0.00 C ATOM 1398 CG1 VAL A 95 6.160 -16.802 -5.671 1.00 0.00 C ATOM 1399 CG2 VAL A 95 7.494 -15.024 -7.302 1.00 0.00 C ATOM 0 H VAL A 95 7.677 -13.183 -5.911 1.00 0.00 H new ATOM 0 HA VAL A 95 6.290 -14.808 -4.029 1.00 0.00 H new ATOM 0 HB VAL A 95 8.038 -15.914 -6.283 1.00 0.00 H new ATOM 0 HG11 VAL A 95 6.071 -17.367 -6.599 1.00 0.00 H new ATOM 0 HG12 VAL A 95 6.593 -17.438 -4.899 1.00 0.00 H new ATOM 0 HG13 VAL A 95 5.172 -16.468 -5.353 1.00 0.00 H new ATOM 0 HG21 VAL A 95 7.297 -15.784 -8.058 1.00 0.00 H new ATOM 0 HG22 VAL A 95 6.919 -14.127 -7.531 1.00 0.00 H new ATOM 0 HG23 VAL A 95 8.557 -14.783 -7.299 1.00 0.00 H new ATOM 1409 N VAL A 96 7.953 -16.356 -2.969 1.00 0.00 N ATOM 1410 CA VAL A 96 8.769 -17.114 -2.029 1.00 0.00 C ATOM 1411 C VAL A 96 9.629 -16.206 -1.131 1.00 0.00 C ATOM 1412 O VAL A 96 10.835 -16.069 -1.295 1.00 0.00 O ATOM 1413 CB VAL A 96 9.564 -18.251 -2.752 1.00 0.00 C ATOM 1414 CG1 VAL A 96 10.430 -17.706 -3.931 1.00 0.00 C ATOM 1415 CG2 VAL A 96 9.714 -19.713 -2.234 1.00 0.00 C ATOM 0 H VAL A 96 7.005 -16.725 -3.040 1.00 0.00 H new ATOM 0 HA VAL A 96 8.098 -17.621 -1.336 1.00 0.00 H new ATOM 0 HB VAL A 96 8.794 -18.993 -2.964 1.00 0.00 H new ATOM 0 HG11 VAL A 96 10.963 -18.531 -4.402 1.00 0.00 H new ATOM 0 HG12 VAL A 96 9.784 -17.225 -4.665 1.00 0.00 H new ATOM 0 HG13 VAL A 96 11.148 -16.980 -3.550 1.00 0.00 H new ATOM 0 HG21 VAL A 96 10.318 -20.287 -2.936 1.00 0.00 H new ATOM 0 HG22 VAL A 96 10.200 -19.705 -1.258 1.00 0.00 H new ATOM 0 HG23 VAL A 96 8.729 -20.170 -2.145 1.00 0.00 H new ATOM 1425 N GLY A 97 8.901 -15.612 -0.164 1.00 0.00 N ATOM 1426 CA GLY A 97 9.517 -14.713 0.798 1.00 0.00 C ATOM 1427 C GLY A 97 8.425 -14.068 1.655 1.00 0.00 C ATOM 1428 O GLY A 97 7.396 -13.634 1.154 1.00 0.00 O ATOM 0 H GLY A 97 7.897 -15.745 -0.039 1.00 0.00 H new ATOM 0 HA2 GLY A 97 10.216 -15.261 1.430 1.00 0.00 H new ATOM 0 HA3 GLY A 97 10.091 -13.945 0.280 1.00 0.00 H new ATOM 1432 N LYS A 98 8.720 -14.054 2.971 1.00 0.00 N ATOM 1433 CA LYS A 98 7.816 -13.482 3.957 1.00 0.00 C ATOM 1434 C LYS A 98 8.609 -13.548 5.263 1.00 0.00 C ATOM 1435 O LYS A 98 8.858 -14.622 5.797 1.00 0.00 O ATOM 1436 CB LYS A 98 6.490 -14.270 4.046 1.00 0.00 C ATOM 1437 CG LYS A 98 5.524 -13.726 5.110 1.00 0.00 C ATOM 1438 CD LYS A 98 4.122 -14.351 5.025 1.00 0.00 C ATOM 1439 CE LYS A 98 4.103 -15.859 5.306 1.00 0.00 C ATOM 1440 NZ LYS A 98 4.582 -16.200 6.640 1.00 0.00 N ATOM 0 H LYS A 98 9.581 -14.436 3.363 1.00 0.00 H new ATOM 0 HA LYS A 98 7.513 -12.465 3.706 1.00 0.00 H new ATOM 0 HB2 LYS A 98 5.997 -14.248 3.074 1.00 0.00 H new ATOM 0 HB3 LYS A 98 6.711 -15.314 4.267 1.00 0.00 H new ATOM 0 HG2 LYS A 98 5.940 -13.913 6.100 1.00 0.00 H new ATOM 0 HG3 LYS A 98 5.441 -12.645 4.999 1.00 0.00 H new ATOM 0 HD2 LYS A 98 3.466 -13.849 5.736 1.00 0.00 H new ATOM 0 HD3 LYS A 98 3.712 -14.170 4.031 1.00 0.00 H new ATOM 0 HE2 LYS A 98 3.086 -16.232 5.186 1.00 0.00 H new ATOM 0 HE3 LYS A 98 4.719 -16.368 4.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 4.450 -17.218 6.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 5.592 -15.964 6.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 4.046 -15.661 7.350 1.00 0.00 H new ATOM 1453 N GLN A 99 8.984 -12.328 5.719 1.00 0.00 N ATOM 1454 CA GLN A 99 9.761 -12.074 6.930 1.00 0.00 C ATOM 1455 C GLN A 99 11.227 -12.058 6.478 1.00 0.00 C ATOM 1456 O GLN A 99 11.928 -11.063 6.617 1.00 0.00 O ATOM 1457 CB GLN A 99 9.482 -13.052 8.098 1.00 0.00 C ATOM 1458 CG GLN A 99 10.006 -12.570 9.463 1.00 0.00 C ATOM 1459 CD GLN A 99 11.541 -12.511 9.525 1.00 0.00 C ATOM 1460 OE1 GLN A 99 12.140 -11.447 9.622 1.00 0.00 O ATOM 1461 NE2 GLN A 99 12.127 -13.721 9.461 1.00 0.00 N ATOM 0 H GLN A 99 8.738 -11.470 5.226 1.00 0.00 H new ATOM 0 HA GLN A 99 9.469 -11.122 7.372 1.00 0.00 H new ATOM 0 HB2 GLN A 99 8.407 -13.216 8.171 1.00 0.00 H new ATOM 0 HB3 GLN A 99 9.936 -14.016 7.867 1.00 0.00 H new ATOM 0 HG2 GLN A 99 9.600 -11.581 9.674 1.00 0.00 H new ATOM 0 HG3 GLN A 99 9.641 -13.237 10.244 1.00 0.00 H new ATOM 0 HE21 GLN A 99 11.554 -14.561 9.381 1.00 0.00 H new ATOM 0 HE22 GLN A 99 13.144 -13.798 9.493 1.00 0.00 H new ATOM 1470 N ASN A 100 11.633 -13.228 5.941 1.00 0.00 N ATOM 1471 CA ASN A 100 12.973 -13.444 5.429 1.00 0.00 C ATOM 1472 C ASN A 100 12.845 -13.136 3.937 1.00 0.00 C ATOM 1473 O ASN A 100 11.891 -13.546 3.285 1.00 0.00 O ATOM 1474 CB ASN A 100 13.439 -14.885 5.718 1.00 0.00 C ATOM 1475 CG ASN A 100 12.444 -15.949 5.216 1.00 0.00 C ATOM 1476 OD1 ASN A 100 11.461 -16.270 5.873 1.00 0.00 O ATOM 1477 ND2 ASN A 100 12.769 -16.468 4.018 1.00 0.00 N ATOM 0 H ASN A 100 11.026 -14.044 5.857 1.00 0.00 H new ATOM 0 HA ASN A 100 13.731 -12.816 5.897 1.00 0.00 H new ATOM 0 HB2 ASN A 100 14.408 -15.050 5.246 1.00 0.00 H new ATOM 0 HB3 ASN A 100 13.582 -15.007 6.792 1.00 0.00 H new ATOM 0 HD21 ASN A 100 12.178 -17.183 3.595 1.00 0.00 H new ATOM 0 HD22 ASN A 100 13.607 -16.146 3.533 1.00 0.00 H new ATOM 1484 N TRP A 101 13.851 -12.379 3.450 1.00 0.00 N ATOM 1485 CA TRP A 101 13.852 -11.979 2.053 1.00 0.00 C ATOM 1486 C TRP A 101 15.314 -12.018 1.595 1.00 0.00 C ATOM 1487 O TRP A 101 16.226 -12.020 2.414 1.00 0.00 O ATOM 1488 CB TRP A 101 13.363 -10.527 1.929 1.00 0.00 C ATOM 1489 CG TRP A 101 11.898 -10.417 2.276 1.00 0.00 C ATOM 1490 CD1 TRP A 101 11.366 -10.040 3.512 1.00 0.00 C ATOM 1491 CD2 TRP A 101 10.785 -10.642 1.395 1.00 0.00 C ATOM 1492 NE1 TRP A 101 10.015 -10.024 3.426 1.00 0.00 N ATOM 1493 CE2 TRP A 101 9.617 -10.384 2.146 1.00 0.00 C ATOM 1494 CE3 TRP A 101 10.694 -11.023 0.084 1.00 0.00 C ATOM 1495 CZ2 TRP A 101 8.391 -10.516 1.558 1.00 0.00 C ATOM 1496 CZ3 TRP A 101 9.443 -11.158 -0.515 1.00 0.00 C ATOM 1497 CH2 TRP A 101 8.289 -10.902 0.221 1.00 0.00 C ATOM 0 H TRP A 101 14.646 -12.047 3.996 1.00 0.00 H new ATOM 0 HA TRP A 101 13.208 -12.632 1.463 1.00 0.00 H new ATOM 0 HB2 TRP A 101 13.946 -9.886 2.590 1.00 0.00 H new ATOM 0 HB3 TRP A 101 13.527 -10.170 0.912 1.00 0.00 H new ATOM 0 HD1 TRP A 101 11.941 -9.800 4.394 1.00 0.00 H new ATOM 0 HE1 TRP A 101 9.383 -9.783 4.189 1.00 0.00 H new ATOM 0 HE3 TRP A 101 11.590 -11.219 -0.486 1.00 0.00 H new ATOM 0 HZ2 TRP A 101 7.496 -10.321 2.131 1.00 0.00 H new ATOM 0 HZ3 TRP A 101 9.369 -11.461 -1.549 1.00 0.00 H new ATOM 0 HH2 TRP A 101 7.318 -11.002 -0.241 1.00 0.00 H new ATOM 1508 N PRO A 102 15.516 -12.032 0.237 1.00 0.00 N ATOM 1509 CA PRO A 102 16.859 -12.021 -0.341 1.00 0.00 C ATOM 1510 C PRO A 102 17.456 -10.608 -0.106 1.00 0.00 C ATOM 1511 O PRO A 102 17.096 -9.896 0.825 1.00 0.00 O ATOM 1512 CB PRO A 102 16.646 -12.354 -1.841 1.00 0.00 C ATOM 1513 CG PRO A 102 15.203 -12.836 -1.969 1.00 0.00 C ATOM 1514 CD PRO A 102 14.467 -12.255 -0.763 1.00 0.00 C ATOM 0 HA PRO A 102 17.556 -12.736 0.096 1.00 0.00 H new ATOM 0 HB2 PRO A 102 16.820 -11.476 -2.463 1.00 0.00 H new ATOM 0 HB3 PRO A 102 17.344 -13.123 -2.172 1.00 0.00 H new ATOM 0 HG2 PRO A 102 14.757 -12.494 -2.903 1.00 0.00 H new ATOM 0 HG3 PRO A 102 15.152 -13.925 -1.972 1.00 0.00 H new ATOM 0 HD2 PRO A 102 13.959 -11.325 -1.019 1.00 0.00 H new ATOM 0 HD3 PRO A 102 13.706 -12.943 -0.393 1.00 0.00 H new ATOM 1522 N ASP A 103 18.349 -10.234 -1.050 1.00 0.00 N ATOM 1523 CA ASP A 103 19.061 -8.964 -1.033 1.00 0.00 C ATOM 1524 C ASP A 103 18.070 -7.823 -1.333 1.00 0.00 C ATOM 1525 O ASP A 103 18.319 -6.675 -0.984 1.00 0.00 O ATOM 1526 CB ASP A 103 20.233 -8.994 -2.038 1.00 0.00 C ATOM 1527 CG ASP A 103 19.769 -9.270 -3.484 1.00 0.00 C ATOM 1528 OD1 ASP A 103 19.695 -10.436 -3.870 1.00 0.00 O ATOM 1529 OD2 ASP A 103 19.489 -8.314 -4.207 1.00 0.00 O ATOM 0 H ASP A 103 18.589 -10.822 -1.848 1.00 0.00 H new ATOM 0 HA ASP A 103 19.491 -8.790 -0.046 1.00 0.00 H new ATOM 0 HB2 ASP A 103 20.759 -8.040 -2.005 1.00 0.00 H new ATOM 0 HB3 ASP A 103 20.946 -9.762 -1.736 1.00 0.00 H new ATOM 1534 N VAL A 104 16.947 -8.198 -1.990 1.00 0.00 N ATOM 1535 CA VAL A 104 15.912 -7.242 -2.362 1.00 0.00 C ATOM 1536 C VAL A 104 15.366 -6.515 -1.137 1.00 0.00 C ATOM 1537 O VAL A 104 15.622 -5.328 -0.980 1.00 0.00 O ATOM 1538 CB VAL A 104 14.798 -7.897 -3.250 1.00 0.00 C ATOM 1539 CG1 VAL A 104 14.310 -9.258 -2.661 1.00 0.00 C ATOM 1540 CG2 VAL A 104 13.918 -7.143 -4.277 1.00 0.00 C ATOM 0 H VAL A 104 16.747 -9.159 -2.267 1.00 0.00 H new ATOM 0 HA VAL A 104 16.370 -6.478 -2.991 1.00 0.00 H new ATOM 0 HB VAL A 104 15.361 -8.006 -4.177 1.00 0.00 H new ATOM 0 HG11 VAL A 104 13.539 -9.678 -3.306 1.00 0.00 H new ATOM 0 HG12 VAL A 104 15.150 -9.950 -2.601 1.00 0.00 H new ATOM 0 HG13 VAL A 104 13.901 -9.097 -1.664 1.00 0.00 H new ATOM 0 HG21 VAL A 104 13.230 -7.843 -4.750 1.00 0.00 H new ATOM 0 HG22 VAL A 104 13.350 -6.364 -3.767 1.00 0.00 H new ATOM 0 HG23 VAL A 104 14.554 -6.690 -5.037 1.00 0.00 H new ATOM 1550 N GLU A 105 14.629 -7.251 -0.273 1.00 0.00 N ATOM 1551 CA GLU A 105 14.097 -6.577 0.897 1.00 0.00 C ATOM 1552 C GLU A 105 15.127 -6.695 2.028 1.00 0.00 C ATOM 1553 O GLU A 105 14.736 -6.643 3.179 1.00 0.00 O ATOM 1554 CB GLU A 105 12.708 -7.066 1.355 1.00 0.00 C ATOM 1555 CG GLU A 105 11.651 -7.240 0.247 1.00 0.00 C ATOM 1556 CD GLU A 105 11.082 -5.902 -0.264 1.00 0.00 C ATOM 1557 OE1 GLU A 105 10.512 -5.160 0.535 1.00 0.00 O ATOM 1558 OE2 GLU A 105 11.200 -5.623 -1.456 1.00 0.00 O ATOM 0 H GLU A 105 14.409 -8.243 -0.364 1.00 0.00 H new ATOM 0 HA GLU A 105 13.931 -5.536 0.621 1.00 0.00 H new ATOM 0 HB2 GLU A 105 12.832 -8.022 1.864 1.00 0.00 H new ATOM 0 HB3 GLU A 105 12.321 -6.361 2.090 1.00 0.00 H new ATOM 0 HG2 GLU A 105 12.095 -7.781 -0.588 1.00 0.00 H new ATOM 0 HG3 GLU A 105 10.834 -7.854 0.626 1.00 0.00 H new ATOM 1565 N GLN A 106 16.434 -6.872 1.701 1.00 0.00 N ATOM 1566 CA GLN A 106 17.446 -6.906 2.758 1.00 0.00 C ATOM 1567 C GLN A 106 17.648 -5.431 3.150 1.00 0.00 C ATOM 1568 O GLN A 106 17.767 -5.073 4.316 1.00 0.00 O ATOM 1569 CB GLN A 106 18.767 -7.517 2.261 1.00 0.00 C ATOM 1570 CG GLN A 106 19.876 -7.535 3.323 1.00 0.00 C ATOM 1571 CD GLN A 106 21.148 -8.186 2.763 1.00 0.00 C ATOM 1572 OE1 GLN A 106 22.122 -7.520 2.435 1.00 0.00 O ATOM 1573 NE2 GLN A 106 21.068 -9.527 2.677 1.00 0.00 N ATOM 0 H GLN A 106 16.789 -6.988 0.752 1.00 0.00 H new ATOM 0 HA GLN A 106 17.129 -7.526 3.597 1.00 0.00 H new ATOM 0 HB2 GLN A 106 18.582 -8.537 1.925 1.00 0.00 H new ATOM 0 HB3 GLN A 106 19.114 -6.954 1.395 1.00 0.00 H new ATOM 0 HG2 GLN A 106 20.094 -6.517 3.647 1.00 0.00 H new ATOM 0 HG3 GLN A 106 19.537 -8.083 4.202 1.00 0.00 H new ATOM 0 HE21 GLN A 106 20.218 -10.007 2.972 1.00 0.00 H new ATOM 0 HE22 GLN A 106 21.858 -10.063 2.317 1.00 0.00 H new ATOM 1582 N ARG A 107 17.666 -4.609 2.077 1.00 0.00 N ATOM 1583 CA ARG A 107 17.816 -3.173 2.208 1.00 0.00 C ATOM 1584 C ARG A 107 16.439 -2.628 2.600 1.00 0.00 C ATOM 1585 O ARG A 107 16.355 -1.659 3.344 1.00 0.00 O ATOM 1586 CB ARG A 107 18.371 -2.553 0.909 1.00 0.00 C ATOM 1587 CG ARG A 107 17.632 -3.000 -0.366 1.00 0.00 C ATOM 1588 CD ARG A 107 18.142 -2.323 -1.641 1.00 0.00 C ATOM 1589 NE ARG A 107 17.884 -0.888 -1.590 1.00 0.00 N ATOM 1590 CZ ARG A 107 17.980 -0.095 -2.680 1.00 0.00 C ATOM 1591 NH1 ARG A 107 18.339 -0.587 -3.864 1.00 0.00 N ATOM 1592 NH2 ARG A 107 17.708 1.202 -2.568 1.00 0.00 N ATOM 0 H ARG A 107 17.577 -4.934 1.114 1.00 0.00 H new ATOM 0 HA ARG A 107 18.544 -2.909 2.975 1.00 0.00 H new ATOM 0 HB2 ARG A 107 18.317 -1.467 0.985 1.00 0.00 H new ATOM 0 HB3 ARG A 107 19.425 -2.814 0.816 1.00 0.00 H new ATOM 0 HG2 ARG A 107 17.732 -4.080 -0.474 1.00 0.00 H new ATOM 0 HG3 ARG A 107 16.569 -2.788 -0.253 1.00 0.00 H new ATOM 0 HD2 ARG A 107 19.211 -2.503 -1.754 1.00 0.00 H new ATOM 0 HD3 ARG A 107 17.652 -2.757 -2.512 1.00 0.00 H new ATOM 0 HE ARG A 107 17.621 -0.468 -0.699 1.00 0.00 H new ATOM 0 HH11 ARG A 107 18.548 -1.581 -3.961 1.00 0.00 H new ATOM 0 HH12 ARG A 107 18.405 0.030 -4.674 1.00 0.00 H new ATOM 0 HH21 ARG A 107 17.430 1.589 -1.666 1.00 0.00 H new ATOM 0 HH22 ARG A 107 17.777 1.810 -3.384 1.00 0.00 H new ATOM 1606 N PHE A 108 15.368 -3.300 2.096 1.00 0.00 N ATOM 1607 CA PHE A 108 14.032 -2.831 2.450 1.00 0.00 C ATOM 1608 C PHE A 108 13.552 -3.602 3.699 1.00 0.00 C ATOM 1609 O PHE A 108 12.357 -3.636 3.960 1.00 0.00 O ATOM 1610 CB PHE A 108 13.038 -2.923 1.277 1.00 0.00 C ATOM 1611 CG PHE A 108 13.601 -2.389 -0.017 1.00 0.00 C ATOM 1612 CD1 PHE A 108 14.126 -1.102 -0.097 1.00 0.00 C ATOM 1613 CD2 PHE A 108 13.594 -3.179 -1.163 1.00 0.00 C ATOM 1614 CE1 PHE A 108 14.627 -0.616 -1.297 1.00 0.00 C ATOM 1615 CE2 PHE A 108 14.096 -2.700 -2.364 1.00 0.00 C ATOM 1616 CZ PHE A 108 14.615 -1.417 -2.430 1.00 0.00 C ATOM 0 H PHE A 108 15.410 -4.115 1.484 1.00 0.00 H new ATOM 0 HA PHE A 108 14.081 -1.768 2.686 1.00 0.00 H new ATOM 0 HB2 PHE A 108 12.745 -3.964 1.137 1.00 0.00 H new ATOM 0 HB3 PHE A 108 12.134 -2.369 1.530 1.00 0.00 H new ATOM 0 HD1 PHE A 108 14.144 -0.476 0.783 1.00 0.00 H new ATOM 0 HD2 PHE A 108 13.192 -4.180 -1.116 1.00 0.00 H new ATOM 0 HE1 PHE A 108 15.026 0.386 -1.349 1.00 0.00 H new ATOM 0 HE2 PHE A 108 14.082 -3.325 -3.245 1.00 0.00 H new ATOM 0 HZ PHE A 108 15.010 -1.041 -3.362 1.00 0.00 H new ATOM 1626 N LYS A 109 14.499 -4.257 4.425 1.00 0.00 N ATOM 1627 CA LYS A 109 14.186 -4.952 5.680 1.00 0.00 C ATOM 1628 C LYS A 109 14.401 -3.882 6.756 1.00 0.00 C ATOM 1629 O LYS A 109 13.653 -3.771 7.719 1.00 0.00 O ATOM 1630 CB LYS A 109 15.069 -6.193 5.960 1.00 0.00 C ATOM 1631 CG LYS A 109 14.318 -7.537 5.877 1.00 0.00 C ATOM 1632 CD LYS A 109 13.638 -7.959 7.189 1.00 0.00 C ATOM 1633 CE LYS A 109 12.354 -7.182 7.496 1.00 0.00 C ATOM 1634 NZ LYS A 109 11.646 -7.727 8.648 1.00 0.00 N ATOM 0 H LYS A 109 15.481 -4.311 4.153 1.00 0.00 H new ATOM 0 HA LYS A 109 13.175 -5.357 5.649 1.00 0.00 H new ATOM 0 HB2 LYS A 109 15.894 -6.206 5.247 1.00 0.00 H new ATOM 0 HB3 LYS A 109 15.508 -6.096 6.953 1.00 0.00 H new ATOM 0 HG2 LYS A 109 13.563 -7.471 5.094 1.00 0.00 H new ATOM 0 HG3 LYS A 109 15.020 -8.315 5.578 1.00 0.00 H new ATOM 0 HD2 LYS A 109 13.406 -9.023 7.141 1.00 0.00 H new ATOM 0 HD3 LYS A 109 14.340 -7.823 8.012 1.00 0.00 H new ATOM 0 HE2 LYS A 109 12.599 -6.137 7.683 1.00 0.00 H new ATOM 0 HE3 LYS A 109 11.700 -7.205 6.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 10.784 -7.172 8.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 11.388 -8.717 8.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 12.260 -7.682 9.486 1.00 0.00 H new ATOM 1647 N ALA A 110 15.490 -3.105 6.507 1.00 0.00 N ATOM 1648 CA ALA A 110 15.912 -2.007 7.363 1.00 0.00 C ATOM 1649 C ALA A 110 14.759 -0.996 7.398 1.00 0.00 C ATOM 1650 O ALA A 110 14.498 -0.367 8.416 1.00 0.00 O ATOM 1651 CB ALA A 110 17.205 -1.380 6.821 1.00 0.00 C ATOM 0 H ALA A 110 16.092 -3.240 5.695 1.00 0.00 H new ATOM 0 HA ALA A 110 16.132 -2.351 8.374 1.00 0.00 H new ATOM 0 HB1 ALA A 110 17.511 -0.559 7.470 1.00 0.00 H new ATOM 0 HB2 ALA A 110 17.992 -2.134 6.794 1.00 0.00 H new ATOM 0 HB3 ALA A 110 17.031 -1.001 5.814 1.00 0.00 H new ATOM 1657 N MET A 111 14.084 -0.892 6.228 1.00 0.00 N ATOM 1658 CA MET A 111 12.933 -0.020 6.099 1.00 0.00 C ATOM 1659 C MET A 111 11.801 -0.829 6.751 1.00 0.00 C ATOM 1660 O MET A 111 11.216 -0.425 7.749 1.00 0.00 O ATOM 1661 CB MET A 111 12.716 0.324 4.614 1.00 0.00 C ATOM 1662 CG MET A 111 13.901 1.116 4.044 1.00 0.00 C ATOM 1663 SD MET A 111 13.563 1.768 2.398 1.00 0.00 S ATOM 1664 CE MET A 111 13.014 3.424 2.850 1.00 0.00 C ATOM 0 H MET A 111 14.327 -1.402 5.379 1.00 0.00 H new ATOM 0 HA MET A 111 13.023 0.952 6.584 1.00 0.00 H new ATOM 0 HB2 MET A 111 12.581 -0.594 4.042 1.00 0.00 H new ATOM 0 HB3 MET A 111 11.801 0.906 4.504 1.00 0.00 H new ATOM 0 HG2 MET A 111 14.141 1.940 4.716 1.00 0.00 H new ATOM 0 HG3 MET A 111 14.779 0.472 4.003 1.00 0.00 H new ATOM 0 HE1 MET A 111 12.561 3.906 1.984 1.00 0.00 H new ATOM 0 HE2 MET A 111 12.281 3.357 3.654 1.00 0.00 H new ATOM 0 HE3 MET A 111 13.868 4.011 3.186 1.00 0.00 H new ATOM 1674 N GLY A 112 11.582 -2.007 6.117 1.00 0.00 N ATOM 1675 CA GLY A 112 10.626 -3.056 6.469 1.00 0.00 C ATOM 1676 C GLY A 112 9.325 -2.630 7.165 1.00 0.00 C ATOM 1677 O GLY A 112 8.824 -3.328 8.038 1.00 0.00 O ATOM 0 H GLY A 112 12.116 -2.256 5.284 1.00 0.00 H new ATOM 0 HA2 GLY A 112 10.359 -3.587 5.555 1.00 0.00 H new ATOM 0 HA3 GLY A 112 11.135 -3.770 7.116 1.00 0.00 H new ATOM 1681 N PHE A 113 8.810 -1.465 6.721 1.00 0.00 N ATOM 1682 CA PHE A 113 7.553 -0.956 7.265 1.00 0.00 C ATOM 1683 C PHE A 113 6.411 -1.529 6.397 1.00 0.00 C ATOM 1684 O PHE A 113 5.241 -1.256 6.638 1.00 0.00 O ATOM 1685 CB PHE A 113 7.542 0.586 7.347 1.00 0.00 C ATOM 1686 CG PHE A 113 8.222 1.277 6.190 1.00 0.00 C ATOM 1687 CD1 PHE A 113 7.734 1.172 4.890 1.00 0.00 C ATOM 1688 CD2 PHE A 113 9.359 2.048 6.418 1.00 0.00 C ATOM 1689 CE1 PHE A 113 8.373 1.821 3.841 1.00 0.00 C ATOM 1690 CE2 PHE A 113 9.993 2.703 5.373 1.00 0.00 C ATOM 1691 CZ PHE A 113 9.501 2.589 4.081 1.00 0.00 C ATOM 0 H PHE A 113 9.239 -0.878 6.005 1.00 0.00 H new ATOM 0 HA PHE A 113 7.420 -1.283 8.296 1.00 0.00 H new ATOM 0 HB2 PHE A 113 6.508 0.927 7.401 1.00 0.00 H new ATOM 0 HB3 PHE A 113 8.028 0.892 8.273 1.00 0.00 H new ATOM 0 HD1 PHE A 113 6.851 0.581 4.696 1.00 0.00 H new ATOM 0 HD2 PHE A 113 9.752 2.137 7.420 1.00 0.00 H new ATOM 0 HE1 PHE A 113 7.990 1.727 2.836 1.00 0.00 H new ATOM 0 HE2 PHE A 113 10.871 3.302 5.565 1.00 0.00 H new ATOM 0 HZ PHE A 113 9.995 3.097 3.266 1.00 0.00 H new ATOM 1701 N ASP A 114 6.819 -2.326 5.381 1.00 0.00 N ATOM 1702 CA ASP A 114 5.924 -2.971 4.447 1.00 0.00 C ATOM 1703 C ASP A 114 5.889 -4.452 4.854 1.00 0.00 C ATOM 1704 O ASP A 114 6.920 -5.057 5.127 1.00 0.00 O ATOM 1705 CB ASP A 114 6.458 -2.773 3.011 1.00 0.00 C ATOM 1706 CG ASP A 114 7.899 -3.307 2.835 1.00 0.00 C ATOM 1707 OD1 ASP A 114 8.844 -2.590 3.166 1.00 0.00 O ATOM 1708 OD2 ASP A 114 8.056 -4.433 2.363 1.00 0.00 O ATOM 0 H ASP A 114 7.802 -2.530 5.202 1.00 0.00 H new ATOM 0 HA ASP A 114 4.917 -2.554 4.467 1.00 0.00 H new ATOM 0 HB2 ASP A 114 5.798 -3.281 2.308 1.00 0.00 H new ATOM 0 HB3 ASP A 114 6.434 -1.712 2.761 1.00 0.00 H new ATOM 1713 N ARG A 115 4.648 -4.989 4.892 1.00 0.00 N ATOM 1714 CA ARG A 115 4.420 -6.387 5.226 1.00 0.00 C ATOM 1715 C ARG A 115 3.960 -7.018 3.904 1.00 0.00 C ATOM 1716 O ARG A 115 3.809 -6.334 2.899 1.00 0.00 O ATOM 1717 CB ARG A 115 3.421 -6.550 6.396 1.00 0.00 C ATOM 1718 CG ARG A 115 2.582 -5.310 6.759 1.00 0.00 C ATOM 1719 CD ARG A 115 3.347 -4.277 7.600 1.00 0.00 C ATOM 1720 NE ARG A 115 2.401 -3.445 8.333 1.00 0.00 N ATOM 1721 CZ ARG A 115 2.809 -2.527 9.238 1.00 0.00 C ATOM 1722 NH1 ARG A 115 4.101 -2.259 9.414 1.00 0.00 N ATOM 1723 NH2 ARG A 115 1.904 -1.884 9.966 1.00 0.00 N ATOM 0 H ARG A 115 3.797 -4.463 4.693 1.00 0.00 H new ATOM 0 HA ARG A 115 5.311 -6.889 5.604 1.00 0.00 H new ATOM 0 HB2 ARG A 115 2.739 -7.364 6.152 1.00 0.00 H new ATOM 0 HB3 ARG A 115 3.979 -6.856 7.281 1.00 0.00 H new ATOM 0 HG2 ARG A 115 2.235 -4.835 5.842 1.00 0.00 H new ATOM 0 HG3 ARG A 115 1.696 -5.629 7.308 1.00 0.00 H new ATOM 0 HD2 ARG A 115 4.016 -4.783 8.296 1.00 0.00 H new ATOM 0 HD3 ARG A 115 3.968 -3.656 6.955 1.00 0.00 H new ATOM 0 HE ARG A 115 1.403 -3.559 8.158 1.00 0.00 H new ATOM 0 HH11 ARG A 115 4.804 -2.750 8.861 1.00 0.00 H new ATOM 0 HH12 ARG A 115 4.388 -1.563 10.102 1.00 0.00 H new ATOM 0 HH21 ARG A 115 0.912 -2.084 9.840 1.00 0.00 H new ATOM 0 HH22 ARG A 115 2.201 -1.190 10.652 1.00 0.00 H new ATOM 1737 N VAL A 116 3.756 -8.357 3.960 1.00 0.00 N ATOM 1738 CA VAL A 116 3.317 -9.081 2.771 1.00 0.00 C ATOM 1739 C VAL A 116 2.283 -10.132 3.159 1.00 0.00 C ATOM 1740 O VAL A 116 2.168 -10.546 4.306 1.00 0.00 O ATOM 1741 CB VAL A 116 4.520 -9.782 2.049 1.00 0.00 C ATOM 1742 CG1 VAL A 116 5.442 -8.691 1.432 1.00 0.00 C ATOM 1743 CG2 VAL A 116 4.987 -11.241 2.322 1.00 0.00 C ATOM 0 H VAL A 116 3.887 -8.931 4.793 1.00 0.00 H new ATOM 0 HA VAL A 116 2.877 -8.358 2.084 1.00 0.00 H new ATOM 0 HB VAL A 116 4.120 -10.452 1.288 1.00 0.00 H new ATOM 0 HG11 VAL A 116 6.282 -9.168 0.927 1.00 0.00 H new ATOM 0 HG12 VAL A 116 4.875 -8.099 0.713 1.00 0.00 H new ATOM 0 HG13 VAL A 116 5.816 -8.040 2.223 1.00 0.00 H new ATOM 0 HG21 VAL A 116 5.841 -11.475 1.686 1.00 0.00 H new ATOM 0 HG22 VAL A 116 5.275 -11.341 3.368 1.00 0.00 H new ATOM 0 HG23 VAL A 116 4.172 -11.931 2.103 1.00 0.00 H new ATOM 1753 N TYR A 117 1.566 -10.541 2.084 1.00 0.00 N ATOM 1754 CA TYR A 117 0.543 -11.571 2.242 1.00 0.00 C ATOM 1755 C TYR A 117 1.211 -12.871 1.763 1.00 0.00 C ATOM 1756 O TYR A 117 2.140 -12.841 0.964 1.00 0.00 O ATOM 1757 CB TYR A 117 -0.700 -11.259 1.399 1.00 0.00 C ATOM 1758 CG TYR A 117 -1.445 -10.061 1.919 1.00 0.00 C ATOM 1759 CD1 TYR A 117 -0.856 -8.805 2.000 1.00 0.00 C ATOM 1760 CD2 TYR A 117 -2.764 -10.194 2.316 1.00 0.00 C ATOM 1761 CE1 TYR A 117 -1.564 -7.705 2.414 1.00 0.00 C ATOM 1762 CE2 TYR A 117 -3.489 -9.099 2.760 1.00 0.00 C ATOM 1763 CZ TYR A 117 -2.899 -7.836 2.789 1.00 0.00 C ATOM 1764 OH TYR A 117 -3.633 -6.732 3.179 1.00 0.00 O ATOM 0 H TYR A 117 1.679 -10.181 1.136 1.00 0.00 H new ATOM 0 HA TYR A 117 0.198 -11.639 3.274 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -0.402 -11.081 0.366 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -1.362 -12.125 1.395 1.00 0.00 H new ATOM 0 HD1 TYR A 117 0.184 -8.692 1.731 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -3.235 -11.165 2.279 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -1.086 -6.737 2.449 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -4.512 -9.224 3.084 1.00 0.00 H new ATOM 0 HH TYR A 117 -3.657 -6.080 2.448 1.00 0.00 H new ATOM 1774 N PRO A 118 0.700 -14.030 2.281 1.00 0.00 N ATOM 1775 CA PRO A 118 1.235 -15.341 1.924 1.00 0.00 C ATOM 1776 C PRO A 118 0.744 -15.650 0.491 1.00 0.00 C ATOM 1777 O PRO A 118 -0.202 -15.041 0.003 1.00 0.00 O ATOM 1778 CB PRO A 118 0.598 -16.291 2.956 1.00 0.00 C ATOM 1779 CG PRO A 118 -0.711 -15.603 3.347 1.00 0.00 C ATOM 1780 CD PRO A 118 -0.393 -14.110 3.259 1.00 0.00 C ATOM 0 HA PRO A 118 2.322 -15.421 1.936 1.00 0.00 H new ATOM 0 HB2 PRO A 118 0.417 -17.278 2.529 1.00 0.00 H new ATOM 0 HB3 PRO A 118 1.247 -16.432 3.820 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -1.522 -15.878 2.672 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -1.024 -15.885 4.352 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -1.261 -13.537 2.934 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -0.091 -13.710 4.227 1.00 0.00 H new ATOM 1788 N PRO A 119 1.428 -16.635 -0.168 1.00 0.00 N ATOM 1789 CA PRO A 119 1.091 -17.062 -1.524 1.00 0.00 C ATOM 1790 C PRO A 119 -0.220 -17.850 -1.384 1.00 0.00 C ATOM 1791 O PRO A 119 -0.325 -18.796 -0.613 1.00 0.00 O ATOM 1792 CB PRO A 119 2.269 -17.947 -1.959 1.00 0.00 C ATOM 1793 CG PRO A 119 2.882 -18.448 -0.648 1.00 0.00 C ATOM 1794 CD PRO A 119 2.585 -17.352 0.378 1.00 0.00 C ATOM 0 HA PRO A 119 0.948 -16.268 -2.257 1.00 0.00 H new ATOM 0 HB2 PRO A 119 1.933 -18.776 -2.582 1.00 0.00 H new ATOM 0 HB3 PRO A 119 2.994 -17.382 -2.545 1.00 0.00 H new ATOM 0 HG2 PRO A 119 2.443 -19.399 -0.346 1.00 0.00 H new ATOM 0 HG3 PRO A 119 3.955 -18.610 -0.752 1.00 0.00 H new ATOM 0 HD2 PRO A 119 2.362 -17.776 1.357 1.00 0.00 H new ATOM 0 HD3 PRO A 119 3.439 -16.687 0.505 1.00 0.00 H new ATOM 1802 N GLY A 120 -1.203 -17.375 -2.177 1.00 0.00 N ATOM 1803 CA GLY A 120 -2.545 -17.940 -2.182 1.00 0.00 C ATOM 1804 C GLY A 120 -3.419 -16.991 -1.368 1.00 0.00 C ATOM 1805 O GLY A 120 -3.001 -16.518 -0.316 1.00 0.00 O ATOM 0 H GLY A 120 -1.079 -16.595 -2.823 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -2.921 -18.036 -3.200 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -2.547 -18.939 -1.746 1.00 0.00 H new ATOM 1809 N THR A 121 -4.641 -16.727 -1.895 1.00 0.00 N ATOM 1810 CA THR A 121 -5.509 -15.806 -1.175 1.00 0.00 C ATOM 1811 C THR A 121 -6.034 -16.534 0.043 1.00 0.00 C ATOM 1812 O THR A 121 -6.134 -17.750 0.159 1.00 0.00 O ATOM 1813 CB THR A 121 -6.664 -15.172 -2.013 1.00 0.00 C ATOM 1814 OG1 THR A 121 -7.452 -14.104 -1.380 1.00 0.00 O ATOM 1815 CG2 THR A 121 -7.495 -16.256 -2.763 1.00 0.00 C ATOM 0 H THR A 121 -5.016 -17.117 -2.760 1.00 0.00 H new ATOM 0 HA THR A 121 -4.908 -14.940 -0.898 1.00 0.00 H new ATOM 0 HB THR A 121 -6.149 -14.585 -2.773 1.00 0.00 H new ATOM 0 HG1 THR A 121 -8.365 -14.116 -1.736 1.00 0.00 H new ATOM 0 HG21 THR A 121 -8.289 -15.775 -3.335 1.00 0.00 H new ATOM 0 HG22 THR A 121 -6.844 -16.809 -3.440 1.00 0.00 H new ATOM 0 HG23 THR A 121 -7.934 -16.943 -2.040 1.00 0.00 H new ATOM 1823 N SER A 122 -6.320 -15.591 0.933 1.00 0.00 N ATOM 1824 CA SER A 122 -6.822 -15.776 2.255 1.00 0.00 C ATOM 1825 C SER A 122 -7.259 -14.356 2.583 1.00 0.00 C ATOM 1826 O SER A 122 -6.419 -13.482 2.770 1.00 0.00 O ATOM 1827 CB SER A 122 -5.659 -16.219 3.180 1.00 0.00 C ATOM 1828 OG SER A 122 -4.419 -15.406 3.169 1.00 0.00 O ATOM 0 H SER A 122 -6.190 -14.603 0.713 1.00 0.00 H new ATOM 0 HA SER A 122 -7.607 -16.525 2.366 1.00 0.00 H new ATOM 0 HB2 SER A 122 -6.035 -16.243 4.203 1.00 0.00 H new ATOM 0 HB3 SER A 122 -5.391 -17.242 2.915 1.00 0.00 H new ATOM 0 HG SER A 122 -4.343 -14.913 4.013 1.00 0.00 H new ATOM 1834 N PRO A 123 -8.595 -14.117 2.640 1.00 0.00 N ATOM 1835 CA PRO A 123 -9.078 -12.778 2.910 1.00 0.00 C ATOM 1836 C PRO A 123 -8.963 -12.500 4.426 1.00 0.00 C ATOM 1837 O PRO A 123 -9.317 -11.424 4.887 1.00 0.00 O ATOM 1838 CB PRO A 123 -10.528 -12.787 2.417 1.00 0.00 C ATOM 1839 CG PRO A 123 -10.882 -14.242 2.080 1.00 0.00 C ATOM 1840 CD PRO A 123 -9.677 -15.089 2.483 1.00 0.00 C ATOM 0 HA PRO A 123 -8.512 -11.990 2.414 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -11.197 -12.395 3.183 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -10.640 -12.150 1.539 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -11.775 -14.558 2.619 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -11.095 -14.353 1.017 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -9.863 -15.632 3.410 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -9.439 -15.831 1.721 1.00 0.00 H new ATOM 1848 N GLU A 124 -8.449 -13.522 5.156 1.00 0.00 N ATOM 1849 CA GLU A 124 -8.227 -13.517 6.588 1.00 0.00 C ATOM 1850 C GLU A 124 -7.131 -12.484 6.885 1.00 0.00 C ATOM 1851 O GLU A 124 -7.183 -11.764 7.875 1.00 0.00 O ATOM 1852 CB GLU A 124 -7.774 -14.932 6.995 1.00 0.00 C ATOM 1853 CG GLU A 124 -7.400 -15.052 8.481 1.00 0.00 C ATOM 1854 CD GLU A 124 -7.071 -16.510 8.844 1.00 0.00 C ATOM 1855 OE1 GLU A 124 -5.915 -16.908 8.698 1.00 0.00 O ATOM 1856 OE2 GLU A 124 -7.973 -17.232 9.268 1.00 0.00 O ATOM 0 H GLU A 124 -8.172 -14.403 4.724 1.00 0.00 H new ATOM 0 HA GLU A 124 -9.126 -13.255 7.146 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -8.573 -15.639 6.771 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -6.915 -15.219 6.388 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -6.542 -14.416 8.697 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -8.225 -14.696 9.098 1.00 0.00 H new ATOM 1863 N THR A 125 -6.145 -12.461 5.961 1.00 0.00 N ATOM 1864 CA THR A 125 -5.010 -11.572 6.074 1.00 0.00 C ATOM 1865 C THR A 125 -5.487 -10.149 5.743 1.00 0.00 C ATOM 1866 O THR A 125 -4.866 -9.181 6.165 1.00 0.00 O ATOM 1867 CB THR A 125 -3.915 -12.012 5.048 1.00 0.00 C ATOM 1868 OG1 THR A 125 -3.846 -13.410 4.634 1.00 0.00 O ATOM 1869 CG2 THR A 125 -2.533 -11.396 5.398 1.00 0.00 C ATOM 0 H THR A 125 -6.130 -13.057 5.133 1.00 0.00 H new ATOM 0 HA THR A 125 -4.592 -11.604 7.080 1.00 0.00 H new ATOM 0 HB THR A 125 -4.283 -11.577 4.119 1.00 0.00 H new ATOM 0 HG1 THR A 125 -3.203 -13.503 3.901 1.00 0.00 H new ATOM 0 HG21 THR A 125 -1.794 -11.721 4.666 1.00 0.00 H new ATOM 0 HG22 THR A 125 -2.605 -10.308 5.383 1.00 0.00 H new ATOM 0 HG23 THR A 125 -2.229 -11.725 6.392 1.00 0.00 H new ATOM 1877 N THR A 126 -6.593 -10.051 4.962 1.00 0.00 N ATOM 1878 CA THR A 126 -7.036 -8.731 4.592 1.00 0.00 C ATOM 1879 C THR A 126 -7.909 -8.132 5.670 1.00 0.00 C ATOM 1880 O THR A 126 -8.078 -6.917 5.693 1.00 0.00 O ATOM 1881 CB THR A 126 -7.877 -8.604 3.316 1.00 0.00 C ATOM 1882 OG1 THR A 126 -9.328 -8.799 3.397 1.00 0.00 O ATOM 1883 CG2 THR A 126 -7.239 -9.346 2.123 1.00 0.00 C ATOM 0 H THR A 126 -7.148 -10.830 4.607 1.00 0.00 H new ATOM 0 HA THR A 126 -6.085 -8.223 4.431 1.00 0.00 H new ATOM 0 HB THR A 126 -7.834 -7.529 3.140 1.00 0.00 H new ATOM 0 HG1 THR A 126 -9.778 -8.158 2.808 1.00 0.00 H new ATOM 0 HG21 THR A 126 -7.870 -9.228 1.242 1.00 0.00 H new ATOM 0 HG22 THR A 126 -6.252 -8.930 1.921 1.00 0.00 H new ATOM 0 HG23 THR A 126 -7.144 -10.405 2.362 1.00 0.00 H new ATOM 1891 N ILE A 127 -8.478 -8.978 6.557 1.00 0.00 N ATOM 1892 CA ILE A 127 -9.261 -8.368 7.626 1.00 0.00 C ATOM 1893 C ILE A 127 -8.229 -7.556 8.452 1.00 0.00 C ATOM 1894 O ILE A 127 -8.518 -6.505 9.008 1.00 0.00 O ATOM 1895 CB ILE A 127 -10.020 -9.413 8.495 1.00 0.00 C ATOM 1896 CG1 ILE A 127 -10.479 -10.685 7.769 1.00 0.00 C ATOM 1897 CG2 ILE A 127 -10.767 -8.638 9.630 1.00 0.00 C ATOM 1898 CD1 ILE A 127 -11.272 -11.708 8.608 1.00 0.00 C ATOM 0 H ILE A 127 -8.415 -9.996 6.554 1.00 0.00 H new ATOM 0 HA ILE A 127 -10.056 -7.738 7.228 1.00 0.00 H new ATOM 0 HB ILE A 127 -9.436 -10.096 9.112 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -11.095 -10.390 6.920 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -9.598 -11.184 7.366 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -11.310 -9.345 10.257 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -10.043 -8.095 10.238 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -11.470 -7.932 9.187 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -11.539 -12.561 7.984 1.00 0.00 H new ATOM 0 HD12 ILE A 127 -10.659 -12.047 9.443 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -12.179 -11.240 8.990 1.00 0.00 H new ATOM 1910 N ALA A 128 -6.994 -8.123 8.411 1.00 0.00 N ATOM 1911 CA ALA A 128 -5.822 -7.589 9.049 1.00 0.00 C ATOM 1912 C ALA A 128 -5.228 -6.487 8.153 1.00 0.00 C ATOM 1913 O ALA A 128 -4.324 -5.790 8.586 1.00 0.00 O ATOM 1914 CB ALA A 128 -4.843 -8.736 9.353 1.00 0.00 C ATOM 0 H ALA A 128 -6.811 -8.992 7.909 1.00 0.00 H new ATOM 0 HA ALA A 128 -6.061 -7.125 10.006 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -3.952 -8.335 9.837 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -5.322 -9.458 10.015 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -4.560 -9.229 8.423 1.00 0.00 H new ATOM 1920 N ASP A 129 -5.758 -6.316 6.917 1.00 0.00 N ATOM 1921 CA ASP A 129 -5.274 -5.304 5.991 1.00 0.00 C ATOM 1922 C ASP A 129 -5.298 -3.946 6.692 1.00 0.00 C ATOM 1923 O ASP A 129 -4.274 -3.385 7.059 1.00 0.00 O ATOM 1924 CB ASP A 129 -6.101 -5.196 4.683 1.00 0.00 C ATOM 1925 CG ASP A 129 -5.340 -4.468 3.546 1.00 0.00 C ATOM 1926 OD1 ASP A 129 -4.458 -3.654 3.824 1.00 0.00 O ATOM 1927 OD2 ASP A 129 -5.640 -4.729 2.384 1.00 0.00 O ATOM 0 H ASP A 129 -6.526 -6.879 6.551 1.00 0.00 H new ATOM 0 HA ASP A 129 -4.266 -5.604 5.703 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -6.374 -6.197 4.348 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -7.030 -4.665 4.889 1.00 0.00 H new ATOM 1932 N MET A 130 -6.550 -3.477 6.855 1.00 0.00 N ATOM 1933 CA MET A 130 -6.723 -2.150 7.433 1.00 0.00 C ATOM 1934 C MET A 130 -6.749 -2.235 8.968 1.00 0.00 C ATOM 1935 O MET A 130 -6.750 -1.200 9.623 1.00 0.00 O ATOM 1936 CB MET A 130 -7.946 -1.391 6.856 1.00 0.00 C ATOM 1937 CG MET A 130 -8.330 -1.721 5.401 1.00 0.00 C ATOM 1938 SD MET A 130 -6.978 -1.625 4.220 1.00 0.00 S ATOM 1939 CE MET A 130 -7.768 -2.536 2.873 1.00 0.00 C ATOM 0 H MET A 130 -7.407 -3.972 6.608 1.00 0.00 H new ATOM 0 HA MET A 130 -5.859 -1.551 7.144 1.00 0.00 H new ATOM 0 HB2 MET A 130 -8.807 -1.596 7.492 1.00 0.00 H new ATOM 0 HB3 MET A 130 -7.748 -0.321 6.923 1.00 0.00 H new ATOM 0 HG2 MET A 130 -8.749 -2.727 5.371 1.00 0.00 H new ATOM 0 HG3 MET A 130 -9.118 -1.038 5.085 1.00 0.00 H new ATOM 0 HE1 MET A 130 -7.166 -2.443 1.969 1.00 0.00 H new ATOM 0 HE2 MET A 130 -7.853 -3.588 3.146 1.00 0.00 H new ATOM 0 HE3 MET A 130 -8.762 -2.127 2.691 1.00 0.00 H new ATOM 1949 N LYS A 131 -6.742 -3.470 9.526 1.00 0.00 N ATOM 1950 CA LYS A 131 -6.803 -3.586 10.978 1.00 0.00 C ATOM 1951 C LYS A 131 -5.368 -3.592 11.537 1.00 0.00 C ATOM 1952 O LYS A 131 -4.975 -2.668 12.236 1.00 0.00 O ATOM 1953 CB LYS A 131 -7.619 -4.832 11.354 1.00 0.00 C ATOM 1954 CG LYS A 131 -7.615 -5.195 12.844 1.00 0.00 C ATOM 1955 CD LYS A 131 -8.494 -6.418 13.145 1.00 0.00 C ATOM 1956 CE LYS A 131 -7.979 -7.708 12.493 1.00 0.00 C ATOM 1957 NZ LYS A 131 -8.773 -8.872 12.864 1.00 0.00 N ATOM 0 H LYS A 131 -6.697 -4.350 9.013 1.00 0.00 H new ATOM 0 HA LYS A 131 -7.315 -2.735 11.427 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -8.651 -4.679 11.037 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -7.235 -5.681 10.789 1.00 0.00 H new ATOM 0 HG2 LYS A 131 -6.593 -5.397 13.164 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -7.969 -4.343 13.425 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -8.549 -6.561 14.224 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -9.508 -6.223 12.797 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -7.991 -7.594 11.409 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -6.942 -7.871 12.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -8.387 -9.718 12.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -8.742 -8.999 13.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -9.758 -8.731 12.562 1.00 0.00 H new ATOM 1970 N GLU A 132 -4.616 -4.668 11.198 1.00 0.00 N ATOM 1971 CA GLU A 132 -3.250 -4.904 11.672 1.00 0.00 C ATOM 1972 C GLU A 132 -2.393 -3.654 11.514 1.00 0.00 C ATOM 1973 O GLU A 132 -1.650 -3.278 12.412 1.00 0.00 O ATOM 1974 CB GLU A 132 -2.609 -6.132 10.999 1.00 0.00 C ATOM 1975 CG GLU A 132 -1.242 -6.530 11.578 1.00 0.00 C ATOM 1976 CD GLU A 132 -0.681 -7.764 10.849 1.00 0.00 C ATOM 1977 OE1 GLU A 132 -0.348 -7.652 9.669 1.00 0.00 O ATOM 1978 OE2 GLU A 132 -0.582 -8.824 11.467 1.00 0.00 O ATOM 0 H GLU A 132 -4.957 -5.402 10.577 1.00 0.00 H new ATOM 0 HA GLU A 132 -3.307 -5.131 12.737 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -3.290 -6.978 11.091 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -2.494 -5.929 9.934 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -0.545 -5.697 11.483 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -1.341 -6.744 12.642 1.00 0.00 H new ATOM 1985 N VAL A 133 -2.537 -3.037 10.331 1.00 0.00 N ATOM 1986 CA VAL A 133 -1.763 -1.829 10.056 1.00 0.00 C ATOM 1987 C VAL A 133 -2.179 -0.671 10.994 1.00 0.00 C ATOM 1988 O VAL A 133 -1.382 -0.226 11.811 1.00 0.00 O ATOM 1989 CB VAL A 133 -1.763 -1.528 8.519 1.00 0.00 C ATOM 1990 CG1 VAL A 133 -1.292 -0.065 8.248 1.00 0.00 C ATOM 1991 CG2 VAL A 133 -1.501 -2.636 7.475 1.00 0.00 C ATOM 0 H VAL A 133 -3.157 -3.342 9.581 1.00 0.00 H new ATOM 0 HA VAL A 133 -0.712 -1.979 10.302 1.00 0.00 H new ATOM 0 HB VAL A 133 -2.811 -1.590 8.226 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -1.298 0.126 7.175 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -1.966 0.632 8.745 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -0.282 0.070 8.635 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -1.547 -2.210 6.473 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -0.514 -3.067 7.641 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -2.257 -3.415 7.573 1.00 0.00 H new ATOM 2001 N LEU A 134 -3.442 -0.209 10.834 1.00 0.00 N ATOM 2002 CA LEU A 134 -3.946 0.873 11.676 1.00 0.00 C ATOM 2003 C LEU A 134 -4.607 0.255 12.921 1.00 0.00 C ATOM 2004 O LEU A 134 -5.763 0.532 13.220 1.00 0.00 O ATOM 2005 CB LEU A 134 -4.896 1.783 10.884 1.00 0.00 C ATOM 2006 CG LEU A 134 -4.162 2.680 9.839 1.00 0.00 C ATOM 2007 CD1 LEU A 134 -5.227 3.563 9.126 1.00 0.00 C ATOM 2008 CD2 LEU A 134 -2.652 3.053 9.823 1.00 0.00 C ATOM 0 H LEU A 134 -4.106 -0.565 10.146 1.00 0.00 H new ATOM 0 HA LEU A 134 -3.127 1.513 12.006 1.00 0.00 H new ATOM 0 HB2 LEU A 134 -5.634 1.167 10.370 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -5.442 2.420 11.580 1.00 0.00 H new ATOM 0 HG LEU A 134 -3.602 1.973 9.227 1.00 0.00 H new ATOM 0 HD11 LEU A 134 -4.737 4.200 8.389 1.00 0.00 H new ATOM 0 HD12 LEU A 134 -5.954 2.923 8.626 1.00 0.00 H new ATOM 0 HD13 LEU A 134 -5.736 4.185 9.862 1.00 0.00 H new ATOM 0 HD21 LEU A 134 -2.445 3.694 8.966 1.00 0.00 H new ATOM 0 HD22 LEU A 134 -2.398 3.582 10.742 1.00 0.00 H new ATOM 0 HD23 LEU A 134 -2.054 2.145 9.750 1.00 0.00 H new ATOM 2020 N GLY A 135 -3.818 -0.571 13.640 1.00 0.00 N ATOM 2021 CA GLY A 135 -4.309 -1.199 14.859 1.00 0.00 C ATOM 2022 C GLY A 135 -3.132 -1.625 15.735 1.00 0.00 C ATOM 2023 O GLY A 135 -2.731 -0.923 16.655 1.00 0.00 O ATOM 0 H GLY A 135 -2.857 -0.808 13.394 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -4.947 -0.504 15.405 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -4.921 -2.066 14.611 1.00 0.00 H new ATOM 2027 N VAL A 136 -2.615 -2.822 15.388 1.00 0.00 N ATOM 2028 CA VAL A 136 -1.489 -3.383 16.120 1.00 0.00 C ATOM 2029 C VAL A 136 -0.892 -4.510 15.272 1.00 0.00 C ATOM 2030 O VAL A 136 -1.571 -5.142 14.474 1.00 0.00 O ATOM 2031 CB VAL A 136 -1.956 -3.920 17.512 1.00 0.00 C ATOM 2032 CG1 VAL A 136 -0.804 -3.796 18.553 1.00 0.00 C ATOM 2033 CG2 VAL A 136 -3.435 -4.241 17.876 1.00 0.00 C ATOM 0 H VAL A 136 -2.959 -3.399 14.620 1.00 0.00 H new ATOM 0 HA VAL A 136 -0.736 -2.617 16.303 1.00 0.00 H new ATOM 0 HB VAL A 136 -2.366 -4.928 17.457 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -1.143 -4.174 19.518 1.00 0.00 H new ATOM 0 HG12 VAL A 136 0.054 -4.378 18.217 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -0.516 -2.750 18.654 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -3.487 -4.599 18.904 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -4.039 -3.339 17.774 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -3.816 -5.010 17.204 1.00 0.00 H new ATOM 2043 N GLU A 137 0.417 -4.712 15.513 1.00 0.00 N ATOM 2044 CA GLU A 137 1.162 -5.734 14.797 1.00 0.00 C ATOM 2045 C GLU A 137 2.297 -6.148 15.744 1.00 0.00 C ATOM 2046 O GLU A 137 3.131 -5.306 16.079 1.00 0.00 O ATOM 2047 CB GLU A 137 1.677 -5.176 13.455 1.00 0.00 C ATOM 2048 CG GLU A 137 2.359 -6.249 12.592 1.00 0.00 C ATOM 2049 CD GLU A 137 2.781 -5.674 11.230 1.00 0.00 C ATOM 2050 OE1 GLU A 137 3.859 -5.086 11.146 1.00 0.00 O ATOM 2051 OE2 GLU A 137 2.029 -5.822 10.267 1.00 0.00 O ATOM 2052 OXT GLU A 137 2.340 -7.313 16.138 1.00 0.00 O ATOM 0 H GLU A 137 0.964 -4.182 16.191 1.00 0.00 H new ATOM 0 HA GLU A 137 0.552 -6.599 14.537 1.00 0.00 H new ATOM 0 HB2 GLU A 137 0.843 -4.745 12.901 1.00 0.00 H new ATOM 0 HB3 GLU A 137 2.383 -4.368 13.648 1.00 0.00 H new ATOM 0 HG2 GLU A 137 3.234 -6.638 13.113 1.00 0.00 H new ATOM 0 HG3 GLU A 137 1.678 -7.087 12.442 1.00 0.00 H new TER 2059 GLU A 137 HETATM 2060 N4 FOP A 138 0.968 -11.286 -11.107 1.00 0.00 N HETATM 2061 C5 FOP A 138 0.572 -12.187 -10.027 1.00 0.00 C HETATM 2062 C6 FOP A 138 -0.640 -13.081 -10.339 1.00 0.00 C HETATM 2063 C7 FOP A 138 -0.345 -14.137 -11.414 1.00 0.00 C HETATM 2064 O7 FOP A 138 -1.213 -13.643 -9.172 1.00 0.00 O HETATM 0 H73 FOP A 138 -0.052 -13.642 -12.340 1.00 0.00 H new HETATM 0 H72 FOP A 138 0.465 -14.784 -11.076 1.00 0.00 H new HETATM 0 H71 FOP A 138 -1.238 -14.736 -11.590 1.00 0.00 H new HETATM 0 H6 FOP A 138 -1.395 -12.421 -10.767 1.00 0.00 H new HETATM 0 H52 FOP A 138 1.420 -12.824 -9.776 1.00 0.00 H new HETATM 0 H51 FOP A 138 0.348 -11.592 -9.142 1.00 0.00 H new HETATM 0 H43 FOP A 138 1.775 -10.736 -10.813 1.00 0.00 H new HETATM 0 H42 FOP A 138 1.213 -11.832 -11.933 1.00 0.00 H new HETATM 0 H41 FOP A 138 0.193 -10.661 -11.330 1.00 0.00 H new HETATM 2074 P DBI A 139 -0.509 -14.924 -8.555 1.00 0.00 P HETATM 2075 O1P DBI A 139 -1.174 -16.226 -9.157 1.00 0.00 O HETATM 2076 O2P DBI A 139 1.035 -14.950 -8.885 1.00 0.00 O HETATM 2077 O3' DBI A 139 -0.667 -14.897 -6.979 1.00 0.00 O HETATM 2078 O5' DBI A 139 -4.271 -16.403 -7.860 1.00 0.00 O HETATM 2079 C5' DBI A 139 -3.973 -15.036 -7.993 1.00 0.00 C HETATM 2080 C4' DBI A 139 -3.097 -14.522 -6.843 1.00 0.00 C HETATM 2081 O4' DBI A 139 -3.871 -14.422 -5.661 1.00 0.00 O HETATM 2082 C1' DBI A 139 -2.983 -14.483 -4.560 1.00 0.00 C HETATM 2083 N1 DBI A 139 -2.513 -13.141 -4.232 1.00 0.00 N HETATM 2084 C8 DBI A 139 -2.970 -12.315 -3.212 1.00 0.00 C HETATM 2085 C7 DBI A 139 -3.865 -12.485 -2.193 1.00 0.00 C HETATM 2086 C6 DBI A 139 -4.161 -11.453 -1.297 1.00 0.00 C HETATM 2087 C11 DBI A 139 -5.123 -11.724 -0.171 1.00 0.00 C HETATM 2088 C10 DBI A 139 -3.885 -9.000 -0.624 1.00 0.00 C HETATM 2089 C5 DBI A 139 -3.564 -10.197 -1.483 1.00 0.00 C HETATM 2090 C4 DBI A 139 -2.636 -10.042 -2.511 1.00 0.00 C HETATM 2091 C9 DBI A 139 -2.323 -11.066 -3.356 1.00 0.00 C HETATM 2092 N3 DBI A 139 -1.441 -11.177 -4.413 1.00 0.00 N HETATM 2093 C2 DBI A 139 -1.596 -12.420 -4.901 1.00 0.00 C HETATM 2094 C2' DBI A 139 -1.900 -15.477 -4.980 1.00 0.00 C HETATM 2095 O2' DBI A 139 -0.657 -15.244 -4.359 1.00 0.00 O HETATM 2096 C3' DBI A 139 -1.893 -15.409 -6.499 1.00 0.00 C HETATM 0 HO21 DBI A 139 -0.095 -16.042 -4.443 1.00 0.00 H new HETATM 0 H5'2 DBI A 139 -3.462 -14.867 -8.941 1.00 0.00 H new HETATM 0 H5'1 DBI A 139 -4.901 -14.465 -8.025 1.00 0.00 H new HETATM 0 H113 DBI A 139 -6.089 -12.018 -0.581 1.00 0.00 H new HETATM 0 H112 DBI A 139 -4.734 -12.528 0.454 1.00 0.00 H new HETATM 0 H111 DBI A 139 -5.243 -10.823 0.430 1.00 0.00 H new HETATM 0 H103 DBI A 139 -4.947 -8.768 -0.706 1.00 0.00 H new HETATM 0 H102 DBI A 139 -3.641 -9.222 0.415 1.00 0.00 H new HETATM 0 H101 DBI A 139 -3.299 -8.144 -0.959 1.00 0.00 H new HETATM 0 HO5 DBI A 139 -4.831 -16.690 -8.611 1.00 0.00 H new HETATM 0 H7 DBI A 139 -4.360 -13.449 -2.076 1.00 0.00 H new HETATM 0 H4' DBI A 139 -2.718 -13.563 -7.195 1.00 0.00 H new HETATM 0 H4 DBI A 139 -2.147 -9.077 -2.643 1.00 0.00 H new HETATM 0 H3' DBI A 139 -1.979 -16.386 -6.974 1.00 0.00 H new HETATM 0 H2' DBI A 139 -2.111 -16.493 -4.645 1.00 0.00 H new HETATM 0 H2 DBI A 139 -1.035 -12.805 -5.753 1.00 0.00 H new HETATM 0 H1' DBI A 139 -3.435 -14.833 -3.632 1.00 0.00 H new