USER MOD reduce.3.24.130724 H: found=0, std=0, add=928, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 928 hydrogens (10 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 NoAdj-H: X 501 TSA HO4 : X 501 TSA O4 : X 501 TSA C11 :(short bond) USER MOD NoAdj-H: X 501 TSA HO2 : X 501 TSA O2 : X 501 TSA C10 :(short bond) USER MOD Set 1.1: X 62 TYR OH : rot 68:sc= -0.703 USER MOD Set 1.2: X 84 GLN : amide:sc= 0 X(o=-0.7,f=-0.59) USER MOD Set 2.1: X 45 LYS NZ :NH3+ 168:sc= -1.17 (180deg=-0.465!) USER MOD Set 2.2: X 90 ASN : amide:sc= -9.39! C(o=-13!,f=-15!) USER MOD Set 2.3: X 94 GLN :FLIP amide:sc= -2.51! C(o=-16!,f=-13!) USER MOD Set 3.1: X 21 LYS NZ :NH3+ -143:sc= -4.09! (180deg=0) USER MOD Set 3.2: X 72 HIS : no HE2:sc= -3.42! C(o=-7.5!,f=-11!) USER MOD Single : X 1 MET CE :methyl -151:sc= -0.282 (180deg=-1.4) USER MOD Single : X 1 MET N :NH3+ 178:sc= -0.74 (180deg=-0.755) USER MOD Single : X 4 LYS NZ :NH3+ 146:sc= -0.292 (180deg=-1.53!) USER MOD Single : X 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 17 ASN : amide:sc= -2.23 K(o=-2.2,f=-7.8!) USER MOD Single : X 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 35 ASN : amide:sc= -3.97! C(o=-4!,f=-7!) USER MOD Single : X 36 SER OG : rot 180:sc= 0 USER MOD Single : X 39 LYS NZ :NH3+ 141:sc= 0.227 (180deg=0) USER MOD Single : X 46 ASN : amide:sc=-0.00828 X(o=-0.0083,f=0) USER MOD Single : X 47 GLN : amide:sc=-0.00723 K(o=-0.0072,f=-1.7!) USER MOD Single : X 53 ASN :FLIP amide:sc= -0.37 F(o=-1.4,f=-0.37) USER MOD Single : X 59 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0499) USER MOD Single : X 60 TYR OH : rot 180:sc= 0 USER MOD Single : X 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 69 CYS SG : rot -49:sc= 1.11 USER MOD Single : X 70 LYS NZ :NH3+ -166:sc=-0.000558 (180deg=-0.221) USER MOD Single : X 73 ASN : amide:sc= -0.456 K(o=-0.46,f=-2.1!) USER MOD Single : X 77 ASN : amide:sc= -0.346 K(o=-0.35,f=-2.3!) USER MOD Single : X 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 89 HIS : no HD1:sc= -4.71! C(o=-4.7!,f=-9.6!) USER MOD Single : X 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 96 GLN : amide:sc= -0.039 X(o=-0.039,f=0) USER MOD Single : X 97 TYR OH : rot 180:sc= 0 USER MOD Single : X 101 THR OG1 : rot 23:sc= 0.695 USER MOD Single : X 104 HIS : no HD1:sc=-0.00704 X(o=-0.007,f=-0.1) USER MOD Single : X 501 TSA O5 : rot 52:sc= 1.27 USER MOD ----------------------------------------------------------------- ATOM 1 N MET X 1 -13.560 -14.958 4.668 1.00 5.23 N ATOM 2 CA MET X 1 -12.381 -14.082 4.922 1.00 13.21 C ATOM 3 C MET X 1 -12.220 -13.111 3.747 1.00 1.52 C ATOM 4 O MET X 1 -11.153 -12.582 3.507 1.00 71.25 O ATOM 5 CB MET X 1 -11.122 -14.946 5.054 1.00 34.01 C ATOM 6 CG MET X 1 -11.254 -15.882 6.263 1.00 33.13 C ATOM 7 SD MET X 1 -11.388 -14.898 7.779 1.00 63.13 S ATOM 8 CE MET X 1 -9.728 -14.176 7.744 1.00 62.43 C ATOM 0 H1 MET X 1 -13.657 -15.643 5.444 1.00 5.23 H new ATOM 0 H2 MET X 1 -14.420 -14.375 4.611 1.00 5.23 H new ATOM 0 H3 MET X 1 -13.427 -15.468 3.771 1.00 5.23 H new ATOM 0 HA MET X 1 -12.528 -13.520 5.845 1.00 13.21 H new ATOM 0 HB2 MET X 1 -10.975 -15.530 4.146 1.00 34.01 H new ATOM 0 HB3 MET X 1 -10.245 -14.310 5.170 1.00 34.01 H new ATOM 0 HG2 MET X 1 -12.133 -16.517 6.150 1.00 33.13 H new ATOM 0 HG3 MET X 1 -10.389 -16.542 6.321 1.00 33.13 H new ATOM 0 HE1 MET X 1 -9.399 -13.971 8.763 1.00 62.43 H new ATOM 0 HE2 MET X 1 -9.037 -14.875 7.273 1.00 62.43 H new ATOM 0 HE3 MET X 1 -9.748 -13.246 7.175 1.00 62.43 H new ATOM 20 N ILE X 2 -13.277 -12.870 3.019 1.00 52.44 N ATOM 21 CA ILE X 2 -13.191 -11.938 1.858 1.00 43.30 C ATOM 22 C ILE X 2 -11.951 -12.282 1.023 1.00 61.41 C ATOM 23 O ILE X 2 -10.890 -11.717 1.206 1.00 51.22 O ATOM 24 CB ILE X 2 -13.080 -10.498 2.372 1.00 13.45 C ATOM 25 CG1 ILE X 2 -14.000 -10.321 3.586 1.00 22.45 C ATOM 26 CG2 ILE X 2 -13.496 -9.525 1.269 1.00 4.24 C ATOM 27 CD1 ILE X 2 -15.423 -10.750 3.222 1.00 43.01 C ATOM 0 H ILE X 2 -14.198 -13.279 3.179 1.00 52.44 H new ATOM 0 HA ILE X 2 -14.084 -12.036 1.240 1.00 43.30 H new ATOM 0 HB ILE X 2 -12.049 -10.294 2.661 1.00 13.45 H new ATOM 0 HG12 ILE X 2 -13.633 -10.916 4.422 1.00 22.45 H new ATOM 0 HG13 ILE X 2 -13.995 -9.280 3.909 1.00 22.45 H new ATOM 0 HG21 ILE X 2 -13.416 -8.502 1.637 1.00 4.24 H new ATOM 0 HG22 ILE X 2 -12.842 -9.652 0.406 1.00 4.24 H new ATOM 0 HG23 ILE X 2 -14.527 -9.726 0.976 1.00 4.24 H new ATOM 0 HD11 ILE X 2 -16.074 -10.623 4.087 1.00 43.01 H new ATOM 0 HD12 ILE X 2 -15.789 -10.136 2.399 1.00 43.01 H new ATOM 0 HD13 ILE X 2 -15.421 -11.797 2.920 1.00 43.01 H new ATOM 39 N GLU X 3 -12.078 -13.204 0.104 1.00 4.02 N ATOM 40 CA GLU X 3 -10.913 -13.585 -0.749 1.00 64.43 C ATOM 41 C GLU X 3 -10.574 -12.431 -1.699 1.00 44.52 C ATOM 42 O GLU X 3 -9.423 -12.129 -1.940 1.00 45.41 O ATOM 43 CB GLU X 3 -11.272 -14.827 -1.570 1.00 74.44 C ATOM 44 CG GLU X 3 -11.506 -16.018 -0.636 1.00 61.30 C ATOM 45 CD GLU X 3 -10.203 -16.374 0.081 1.00 44.21 C ATOM 46 OE1 GLU X 3 -9.158 -15.969 -0.398 1.00 32.24 O ATOM 47 OE2 GLU X 3 -10.273 -17.044 1.096 1.00 5.25 O ATOM 0 H GLU X 3 -12.941 -13.711 -0.093 1.00 4.02 H new ATOM 0 HA GLU X 3 -10.053 -13.799 -0.115 1.00 64.43 H new ATOM 0 HB2 GLU X 3 -12.167 -14.636 -2.162 1.00 74.44 H new ATOM 0 HB3 GLU X 3 -10.469 -15.055 -2.271 1.00 74.44 H new ATOM 0 HG2 GLU X 3 -12.279 -15.774 0.093 1.00 61.30 H new ATOM 0 HG3 GLU X 3 -11.864 -16.875 -1.206 1.00 61.30 H new ATOM 54 N LYS X 4 -11.574 -11.789 -2.241 1.00 52.15 N ATOM 55 CA LYS X 4 -11.326 -10.666 -3.193 1.00 51.42 C ATOM 56 C LYS X 4 -10.452 -9.596 -2.519 1.00 14.52 C ATOM 57 O LYS X 4 -9.489 -9.119 -3.085 1.00 43.43 O ATOM 58 CB LYS X 4 -12.670 -10.052 -3.607 1.00 63.21 C ATOM 59 CG LYS X 4 -13.440 -11.041 -4.492 1.00 64.34 C ATOM 60 CD LYS X 4 -14.825 -10.469 -4.820 1.00 64.45 C ATOM 61 CE LYS X 4 -14.716 -9.487 -5.991 1.00 62.12 C ATOM 62 NZ LYS X 4 -14.101 -10.174 -7.165 1.00 55.51 N ATOM 0 H LYS X 4 -12.557 -11.995 -2.065 1.00 52.15 H new ATOM 0 HA LYS X 4 -10.808 -11.042 -4.075 1.00 51.42 H new ATOM 0 HB2 LYS X 4 -13.257 -9.808 -2.722 1.00 63.21 H new ATOM 0 HB3 LYS X 4 -12.504 -9.120 -4.146 1.00 63.21 H new ATOM 0 HG2 LYS X 4 -12.886 -11.229 -5.412 1.00 64.34 H new ATOM 0 HG3 LYS X 4 -13.543 -11.998 -3.981 1.00 64.34 H new ATOM 0 HD2 LYS X 4 -15.512 -11.277 -5.073 1.00 64.45 H new ATOM 0 HD3 LYS X 4 -15.236 -9.963 -3.946 1.00 64.45 H new ATOM 0 HE2 LYS X 4 -15.704 -9.109 -6.255 1.00 62.12 H new ATOM 0 HE3 LYS X 4 -14.112 -8.627 -5.703 1.00 62.12 H new ATOM 0 HZ1 LYS X 4 -14.514 -9.798 -8.043 1.00 55.51 H new ATOM 0 HZ2 LYS X 4 -13.074 -10.007 -7.166 1.00 55.51 H new ATOM 0 HZ3 LYS X 4 -14.286 -11.196 -7.105 1.00 55.51 H new ATOM 76 N LEU X 5 -10.788 -9.219 -1.313 1.00 23.41 N ATOM 77 CA LEU X 5 -9.983 -8.196 -0.578 1.00 62.04 C ATOM 78 C LEU X 5 -8.583 -8.748 -0.296 1.00 43.34 C ATOM 79 O LEU X 5 -7.598 -8.037 -0.346 1.00 44.02 O ATOM 80 CB LEU X 5 -10.693 -7.888 0.746 1.00 62.32 C ATOM 81 CG LEU X 5 -9.900 -6.864 1.564 1.00 22.32 C ATOM 82 CD1 LEU X 5 -10.875 -5.880 2.216 1.00 51.13 C ATOM 83 CD2 LEU X 5 -9.113 -7.585 2.664 1.00 34.41 C ATOM 0 H LEU X 5 -11.593 -9.579 -0.800 1.00 23.41 H new ATOM 0 HA LEU X 5 -9.889 -7.289 -1.175 1.00 62.04 H new ATOM 0 HB2 LEU X 5 -11.694 -7.504 0.546 1.00 62.32 H new ATOM 0 HB3 LEU X 5 -10.813 -8.806 1.322 1.00 62.32 H new ATOM 0 HG LEU X 5 -9.211 -6.331 0.909 1.00 22.32 H new ATOM 0 HD11 LEU X 5 -10.317 -5.148 2.800 1.00 51.13 H new ATOM 0 HD12 LEU X 5 -11.446 -5.367 1.442 1.00 51.13 H new ATOM 0 HD13 LEU X 5 -11.557 -6.423 2.871 1.00 51.13 H new ATOM 0 HD21 LEU X 5 -8.549 -6.856 3.246 1.00 34.41 H new ATOM 0 HD22 LEU X 5 -9.805 -8.115 3.319 1.00 34.41 H new ATOM 0 HD23 LEU X 5 -8.425 -8.298 2.211 1.00 34.41 H new ATOM 95 N ALA X 6 -8.493 -10.012 0.009 1.00 2.22 N ATOM 96 CA ALA X 6 -7.169 -10.624 0.322 1.00 51.22 C ATOM 97 C ALA X 6 -6.246 -10.574 -0.902 1.00 72.23 C ATOM 98 O ALA X 6 -5.200 -9.959 -0.873 1.00 52.14 O ATOM 99 CB ALA X 6 -7.375 -12.082 0.732 1.00 71.23 C ATOM 0 H ALA X 6 -9.285 -10.653 0.056 1.00 2.22 H new ATOM 0 HA ALA X 6 -6.707 -10.063 1.134 1.00 51.22 H new ATOM 0 HB1 ALA X 6 -6.411 -12.535 0.962 1.00 71.23 H new ATOM 0 HB2 ALA X 6 -8.016 -12.125 1.613 1.00 71.23 H new ATOM 0 HB3 ALA X 6 -7.846 -12.627 -0.086 1.00 71.23 H new ATOM 105 N GLU X 7 -6.616 -11.227 -1.970 1.00 41.10 N ATOM 106 CA GLU X 7 -5.742 -11.233 -3.179 1.00 41.35 C ATOM 107 C GLU X 7 -5.345 -9.798 -3.543 1.00 43.42 C ATOM 108 O GLU X 7 -4.224 -9.534 -3.930 1.00 11.00 O ATOM 109 CB GLU X 7 -6.495 -11.862 -4.351 1.00 33.42 C ATOM 110 CG GLU X 7 -6.719 -13.353 -4.083 1.00 64.12 C ATOM 111 CD GLU X 7 -7.526 -13.966 -5.227 1.00 4.53 C ATOM 112 OE1 GLU X 7 -7.843 -13.243 -6.156 1.00 73.02 O ATOM 113 OE2 GLU X 7 -7.811 -15.150 -5.157 1.00 54.31 O ATOM 0 H GLU X 7 -7.484 -11.756 -2.058 1.00 41.10 H new ATOM 0 HA GLU X 7 -4.844 -11.813 -2.966 1.00 41.35 H new ATOM 0 HB2 GLU X 7 -7.453 -11.360 -4.491 1.00 33.42 H new ATOM 0 HB3 GLU X 7 -5.928 -11.730 -5.272 1.00 33.42 H new ATOM 0 HG2 GLU X 7 -5.761 -13.863 -3.987 1.00 64.12 H new ATOM 0 HG3 GLU X 7 -7.248 -13.487 -3.139 1.00 64.12 H new ATOM 120 N ILE X 8 -6.257 -8.871 -3.430 1.00 32.53 N ATOM 121 CA ILE X 8 -5.937 -7.457 -3.782 1.00 75.11 C ATOM 122 C ILE X 8 -4.831 -6.928 -2.859 1.00 54.43 C ATOM 123 O ILE X 8 -3.869 -6.333 -3.307 1.00 24.33 O ATOM 124 CB ILE X 8 -7.185 -6.595 -3.606 1.00 31.11 C ATOM 125 CG1 ILE X 8 -8.207 -6.937 -4.693 1.00 1.40 C ATOM 126 CG2 ILE X 8 -6.800 -5.119 -3.711 1.00 51.31 C ATOM 127 CD1 ILE X 8 -9.558 -6.306 -4.344 1.00 75.31 C ATOM 0 H ILE X 8 -7.212 -9.032 -3.109 1.00 32.53 H new ATOM 0 HA ILE X 8 -5.599 -7.415 -4.817 1.00 75.11 H new ATOM 0 HB ILE X 8 -7.624 -6.789 -2.628 1.00 31.11 H new ATOM 0 HG12 ILE X 8 -7.862 -6.570 -5.660 1.00 1.40 H new ATOM 0 HG13 ILE X 8 -8.311 -8.018 -4.781 1.00 1.40 H new ATOM 0 HG21 ILE X 8 -7.689 -4.501 -3.586 1.00 51.31 H new ATOM 0 HG22 ILE X 8 -6.076 -4.875 -2.933 1.00 51.31 H new ATOM 0 HG23 ILE X 8 -6.359 -4.927 -4.689 1.00 51.31 H new ATOM 0 HD11 ILE X 8 -10.285 -6.550 -5.119 1.00 75.31 H new ATOM 0 HD12 ILE X 8 -9.904 -6.694 -3.386 1.00 75.31 H new ATOM 0 HD13 ILE X 8 -9.448 -5.224 -4.278 1.00 75.31 H new ATOM 139 N ARG X 9 -4.962 -7.138 -1.577 1.00 10.22 N ATOM 140 CA ARG X 9 -3.926 -6.637 -0.629 1.00 52.14 C ATOM 141 C ARG X 9 -2.615 -7.406 -0.858 1.00 22.52 C ATOM 142 O ARG X 9 -1.537 -6.915 -0.578 1.00 14.14 O ATOM 143 CB ARG X 9 -4.424 -6.830 0.810 1.00 14.43 C ATOM 144 CG ARG X 9 -5.614 -5.892 1.070 1.00 41.23 C ATOM 145 CD ARG X 9 -5.787 -5.688 2.574 1.00 21.02 C ATOM 146 NE ARG X 9 -7.042 -4.913 2.850 1.00 23.31 N ATOM 147 CZ ARG X 9 -7.425 -4.717 4.086 1.00 73.25 C ATOM 148 NH1 ARG X 9 -6.849 -5.376 5.056 1.00 14.21 N ATOM 149 NH2 ARG X 9 -8.432 -3.925 4.348 1.00 51.23 N ATOM 0 H ARG X 9 -5.741 -7.635 -1.145 1.00 10.22 H new ATOM 0 HA ARG X 9 -3.743 -5.576 -0.797 1.00 52.14 H new ATOM 0 HB2 ARG X 9 -4.723 -7.866 0.967 1.00 14.43 H new ATOM 0 HB3 ARG X 9 -3.620 -6.620 1.516 1.00 14.43 H new ATOM 0 HG2 ARG X 9 -5.448 -4.933 0.580 1.00 41.23 H new ATOM 0 HG3 ARG X 9 -6.523 -6.315 0.643 1.00 41.23 H new ATOM 0 HD2 ARG X 9 -5.829 -6.654 3.077 1.00 21.02 H new ATOM 0 HD3 ARG X 9 -4.926 -5.156 2.978 1.00 21.02 H new ATOM 0 HE ARG X 9 -7.594 -4.541 2.078 1.00 23.31 H new ATOM 0 HH11 ARG X 9 -6.103 -6.041 4.849 1.00 14.21 H new ATOM 0 HH12 ARG X 9 -7.145 -5.226 6.021 1.00 14.21 H new ATOM 0 HH21 ARG X 9 -8.923 -3.456 3.587 1.00 51.23 H new ATOM 0 HH22 ARG X 9 -8.726 -3.776 5.313 1.00 51.23 H new ATOM 163 N LYS X 10 -2.696 -8.600 -1.387 1.00 74.42 N ATOM 164 CA LYS X 10 -1.457 -9.376 -1.678 1.00 44.25 C ATOM 165 C LYS X 10 -0.705 -8.671 -2.810 1.00 60.44 C ATOM 166 O LYS X 10 0.512 -8.668 -2.855 1.00 43.15 O ATOM 167 CB LYS X 10 -1.838 -10.804 -2.104 1.00 52.12 C ATOM 168 CG LYS X 10 -0.569 -11.653 -2.280 1.00 52.31 C ATOM 169 CD LYS X 10 -0.945 -13.139 -2.306 1.00 63.24 C ATOM 170 CE LYS X 10 -2.010 -13.382 -3.378 1.00 55.55 C ATOM 171 NZ LYS X 10 -2.022 -14.827 -3.751 1.00 1.32 N ATOM 0 H LYS X 10 -3.568 -9.070 -1.630 1.00 74.42 H new ATOM 0 HA LYS X 10 -0.823 -9.433 -0.793 1.00 44.25 H new ATOM 0 HB2 LYS X 10 -2.487 -11.256 -1.354 1.00 52.12 H new ATOM 0 HB3 LYS X 10 -2.400 -10.777 -3.037 1.00 52.12 H new ATOM 0 HG2 LYS X 10 -0.062 -11.380 -3.205 1.00 52.31 H new ATOM 0 HG3 LYS X 10 0.128 -11.458 -1.465 1.00 52.31 H new ATOM 0 HD2 LYS X 10 -0.062 -13.744 -2.513 1.00 63.24 H new ATOM 0 HD3 LYS X 10 -1.321 -13.446 -1.330 1.00 63.24 H new ATOM 0 HE2 LYS X 10 -2.990 -13.084 -3.006 1.00 55.55 H new ATOM 0 HE3 LYS X 10 -1.803 -12.771 -4.256 1.00 55.55 H new ATOM 0 HZ1 LYS X 10 -2.746 -14.992 -4.479 1.00 1.32 H new ATOM 0 HZ2 LYS X 10 -1.089 -15.097 -4.123 1.00 1.32 H new ATOM 0 HZ3 LYS X 10 -2.239 -15.401 -2.911 1.00 1.32 H new ATOM 185 N LYS X 11 -1.423 -8.053 -3.716 1.00 31.31 N ATOM 186 CA LYS X 11 -0.754 -7.308 -4.822 1.00 5.35 C ATOM 187 C LYS X 11 0.056 -6.168 -4.206 1.00 41.13 C ATOM 188 O LYS X 11 1.193 -5.930 -4.563 1.00 14.40 O ATOM 189 CB LYS X 11 -1.809 -6.734 -5.785 1.00 45.03 C ATOM 190 CG LYS X 11 -2.664 -7.867 -6.366 1.00 21.24 C ATOM 191 CD LYS X 11 -3.447 -7.355 -7.582 1.00 30.51 C ATOM 192 CE LYS X 11 -2.527 -7.311 -8.806 1.00 11.34 C ATOM 193 NZ LYS X 11 -3.352 -7.232 -10.047 1.00 34.04 N ATOM 0 H LYS X 11 -2.443 -8.034 -3.735 1.00 31.31 H new ATOM 0 HA LYS X 11 -0.102 -7.977 -5.383 1.00 5.35 H new ATOM 0 HB2 LYS X 11 -2.444 -6.022 -5.258 1.00 45.03 H new ATOM 0 HB3 LYS X 11 -1.318 -6.188 -6.591 1.00 45.03 H new ATOM 0 HG2 LYS X 11 -2.028 -8.703 -6.657 1.00 21.24 H new ATOM 0 HG3 LYS X 11 -3.353 -8.240 -5.609 1.00 21.24 H new ATOM 0 HD2 LYS X 11 -4.299 -8.006 -7.778 1.00 30.51 H new ATOM 0 HD3 LYS X 11 -3.845 -6.361 -7.378 1.00 30.51 H new ATOM 0 HE2 LYS X 11 -1.862 -6.450 -8.743 1.00 11.34 H new ATOM 0 HE3 LYS X 11 -1.896 -8.200 -8.832 1.00 11.34 H new ATOM 0 HZ1 LYS X 11 -2.727 -7.202 -10.878 1.00 34.04 H new ATOM 0 HZ2 LYS X 11 -3.969 -8.067 -10.108 1.00 34.04 H new ATOM 0 HZ3 LYS X 11 -3.936 -6.372 -10.022 1.00 34.04 H new ATOM 207 N ILE X 12 -0.525 -5.467 -3.265 1.00 43.21 N ATOM 208 CA ILE X 12 0.206 -4.353 -2.597 1.00 73.24 C ATOM 209 C ILE X 12 1.506 -4.907 -2.017 1.00 14.44 C ATOM 210 O ILE X 12 2.540 -4.268 -2.044 1.00 50.33 O ATOM 211 CB ILE X 12 -0.656 -3.778 -1.466 1.00 33.34 C ATOM 212 CG1 ILE X 12 -1.631 -2.733 -2.024 1.00 32.35 C ATOM 213 CG2 ILE X 12 0.244 -3.116 -0.422 1.00 70.11 C ATOM 214 CD1 ILE X 12 -2.603 -3.400 -2.997 1.00 24.34 C ATOM 0 H ILE X 12 -1.477 -5.620 -2.931 1.00 43.21 H new ATOM 0 HA ILE X 12 0.422 -3.563 -3.316 1.00 73.24 H new ATOM 0 HB ILE X 12 -1.221 -4.589 -1.007 1.00 33.34 H new ATOM 0 HG12 ILE X 12 -2.182 -2.265 -1.209 1.00 32.35 H new ATOM 0 HG13 ILE X 12 -1.079 -1.942 -2.532 1.00 32.35 H new ATOM 0 HG21 ILE X 12 -0.370 -2.708 0.381 1.00 70.11 H new ATOM 0 HG22 ILE X 12 0.932 -3.856 -0.013 1.00 70.11 H new ATOM 0 HG23 ILE X 12 0.812 -2.312 -0.889 1.00 70.11 H new ATOM 0 HD11 ILE X 12 -3.293 -2.654 -3.390 1.00 24.34 H new ATOM 0 HD12 ILE X 12 -2.045 -3.847 -3.819 1.00 24.34 H new ATOM 0 HD13 ILE X 12 -3.165 -4.175 -2.476 1.00 24.34 H new ATOM 226 N ASP X 13 1.457 -6.106 -1.499 1.00 63.41 N ATOM 227 CA ASP X 13 2.677 -6.728 -0.914 1.00 21.14 C ATOM 228 C ASP X 13 3.775 -6.763 -1.979 1.00 62.13 C ATOM 229 O ASP X 13 4.927 -6.488 -1.708 1.00 30.12 O ATOM 230 CB ASP X 13 2.345 -8.155 -0.458 1.00 60.11 C ATOM 231 CG ASP X 13 3.448 -8.678 0.466 1.00 41.41 C ATOM 232 OD1 ASP X 13 3.620 -8.108 1.531 1.00 24.30 O ATOM 233 OD2 ASP X 13 4.098 -9.638 0.094 1.00 21.15 O ATOM 0 H ASP X 13 0.617 -6.684 -1.457 1.00 63.41 H new ATOM 0 HA ASP X 13 3.021 -6.149 -0.057 1.00 21.14 H new ATOM 0 HB2 ASP X 13 1.387 -8.166 0.062 1.00 60.11 H new ATOM 0 HB3 ASP X 13 2.244 -8.809 -1.324 1.00 60.11 H new ATOM 238 N GLU X 14 3.421 -7.091 -3.193 1.00 22.41 N ATOM 239 CA GLU X 14 4.434 -7.124 -4.285 1.00 31.43 C ATOM 240 C GLU X 14 4.941 -5.703 -4.533 1.00 42.01 C ATOM 241 O GLU X 14 6.073 -5.493 -4.925 1.00 74.03 O ATOM 242 CB GLU X 14 3.790 -7.666 -5.567 1.00 74.51 C ATOM 243 CG GLU X 14 3.380 -9.129 -5.367 1.00 71.42 C ATOM 244 CD GLU X 14 4.632 -9.982 -5.147 1.00 4.10 C ATOM 245 OE1 GLU X 14 5.703 -9.537 -5.526 1.00 40.13 O ATOM 246 OE2 GLU X 14 4.499 -11.065 -4.603 1.00 4.10 O ATOM 0 H GLU X 14 2.472 -7.338 -3.475 1.00 22.41 H new ATOM 0 HA GLU X 14 5.264 -7.770 -3.999 1.00 31.43 H new ATOM 0 HB2 GLU X 14 2.917 -7.067 -5.827 1.00 74.51 H new ATOM 0 HB3 GLU X 14 4.491 -7.586 -6.398 1.00 74.51 H new ATOM 0 HG2 GLU X 14 2.711 -9.217 -4.511 1.00 71.42 H new ATOM 0 HG3 GLU X 14 2.831 -9.487 -6.238 1.00 71.42 H new ATOM 253 N ILE X 15 4.105 -4.722 -4.302 1.00 42.15 N ATOM 254 CA ILE X 15 4.527 -3.305 -4.516 1.00 70.32 C ATOM 255 C ILE X 15 5.330 -2.827 -3.301 1.00 52.54 C ATOM 256 O ILE X 15 6.439 -2.346 -3.423 1.00 64.24 O ATOM 257 CB ILE X 15 3.290 -2.413 -4.677 1.00 11.41 C ATOM 258 CG1 ILE X 15 2.273 -3.088 -5.604 1.00 53.34 C ATOM 259 CG2 ILE X 15 3.710 -1.073 -5.280 1.00 32.34 C ATOM 260 CD1 ILE X 15 2.988 -3.602 -6.860 1.00 64.11 C ATOM 0 H ILE X 15 3.147 -4.842 -3.974 1.00 42.15 H new ATOM 0 HA ILE X 15 5.139 -3.245 -5.416 1.00 70.32 H new ATOM 0 HB ILE X 15 2.833 -2.254 -3.700 1.00 11.41 H new ATOM 0 HG12 ILE X 15 1.785 -3.914 -5.086 1.00 53.34 H new ATOM 0 HG13 ILE X 15 1.492 -2.380 -5.881 1.00 53.34 H new ATOM 0 HG21 ILE X 15 2.833 -0.436 -5.396 1.00 32.34 H new ATOM 0 HG22 ILE X 15 4.428 -0.586 -4.620 1.00 32.34 H new ATOM 0 HG23 ILE X 15 4.169 -1.240 -6.255 1.00 32.34 H new ATOM 0 HD11 ILE X 15 2.265 -4.082 -7.519 1.00 64.11 H new ATOM 0 HD12 ILE X 15 3.455 -2.766 -7.381 1.00 64.11 H new ATOM 0 HD13 ILE X 15 3.753 -4.324 -6.574 1.00 64.11 H new ATOM 272 N ASP X 16 4.769 -2.957 -2.129 1.00 1.41 N ATOM 273 CA ASP X 16 5.479 -2.512 -0.899 1.00 14.24 C ATOM 274 C ASP X 16 6.937 -2.978 -0.951 1.00 21.12 C ATOM 275 O ASP X 16 7.855 -2.208 -0.750 1.00 55.21 O ATOM 276 CB ASP X 16 4.777 -3.112 0.326 1.00 11.34 C ATOM 277 CG ASP X 16 3.427 -2.421 0.544 1.00 20.42 C ATOM 278 OD1 ASP X 16 3.174 -1.438 -0.128 1.00 21.51 O ATOM 279 OD2 ASP X 16 2.673 -2.890 1.382 1.00 52.11 O ATOM 0 H ASP X 16 3.843 -3.355 -1.972 1.00 1.41 H new ATOM 0 HA ASP X 16 5.460 -1.424 -0.831 1.00 14.24 H new ATOM 0 HB2 ASP X 16 4.629 -4.182 0.183 1.00 11.34 H new ATOM 0 HB3 ASP X 16 5.404 -2.992 1.210 1.00 11.34 H new ATOM 284 N ASN X 17 7.156 -4.236 -1.213 1.00 11.55 N ATOM 285 CA ASN X 17 8.552 -4.756 -1.288 1.00 31.14 C ATOM 286 C ASN X 17 9.270 -4.128 -2.485 1.00 52.35 C ATOM 287 O ASN X 17 10.433 -3.787 -2.416 1.00 32.13 O ATOM 288 CB ASN X 17 8.516 -6.273 -1.464 1.00 44.11 C ATOM 289 CG ASN X 17 7.954 -6.924 -0.198 1.00 61.33 C ATOM 290 OD1 ASN X 17 7.842 -6.289 0.834 1.00 45.44 O ATOM 291 ND2 ASN X 17 7.595 -8.181 -0.231 1.00 64.33 N ATOM 0 H ASN X 17 6.427 -4.930 -1.379 1.00 11.55 H new ATOM 0 HA ASN X 17 9.083 -4.502 -0.371 1.00 31.14 H new ATOM 0 HB2 ASN X 17 7.900 -6.535 -2.324 1.00 44.11 H new ATOM 0 HB3 ASN X 17 9.519 -6.650 -1.664 1.00 44.11 H new ATOM 0 HD21 ASN X 17 7.222 -8.627 0.607 1.00 64.33 H new ATOM 0 HD22 ASN X 17 7.688 -8.715 -1.095 1.00 64.33 H new ATOM 298 N LYS X 18 8.583 -3.995 -3.588 1.00 1.21 N ATOM 299 CA LYS X 18 9.215 -3.420 -4.817 1.00 54.12 C ATOM 300 C LYS X 18 9.725 -2.000 -4.539 1.00 65.11 C ATOM 301 O LYS X 18 10.814 -1.637 -4.934 1.00 30.41 O ATOM 302 CB LYS X 18 8.170 -3.383 -5.941 1.00 42.22 C ATOM 303 CG LYS X 18 8.815 -2.925 -7.255 1.00 44.32 C ATOM 304 CD LYS X 18 7.753 -2.931 -8.364 1.00 51.33 C ATOM 305 CE LYS X 18 8.384 -2.497 -9.692 1.00 41.30 C ATOM 306 NZ LYS X 18 7.359 -2.564 -10.776 1.00 22.15 N ATOM 0 H LYS X 18 7.604 -4.261 -3.694 1.00 1.21 H new ATOM 0 HA LYS X 18 10.061 -4.041 -5.113 1.00 54.12 H new ATOM 0 HB2 LYS X 18 7.730 -4.372 -6.070 1.00 42.22 H new ATOM 0 HB3 LYS X 18 7.360 -2.706 -5.671 1.00 42.22 H new ATOM 0 HG2 LYS X 18 9.233 -1.925 -7.140 1.00 44.32 H new ATOM 0 HG3 LYS X 18 9.639 -3.587 -7.520 1.00 44.32 H new ATOM 0 HD2 LYS X 18 7.324 -3.928 -8.464 1.00 51.33 H new ATOM 0 HD3 LYS X 18 6.937 -2.258 -8.102 1.00 51.33 H new ATOM 0 HE2 LYS X 18 8.773 -1.482 -9.607 1.00 41.30 H new ATOM 0 HE3 LYS X 18 9.228 -3.143 -9.934 1.00 41.30 H new ATOM 0 HZ1 LYS X 18 7.787 -2.270 -11.677 1.00 22.15 H new ATOM 0 HZ2 LYS X 18 7.008 -3.539 -10.862 1.00 22.15 H new ATOM 0 HZ3 LYS X 18 6.568 -1.930 -10.545 1.00 22.15 H new ATOM 320 N ILE X 19 8.947 -1.189 -3.871 1.00 64.10 N ATOM 321 CA ILE X 19 9.387 0.213 -3.603 1.00 23.24 C ATOM 322 C ILE X 19 10.536 0.218 -2.588 1.00 73.11 C ATOM 323 O ILE X 19 11.382 1.090 -2.602 1.00 40.50 O ATOM 324 CB ILE X 19 8.208 1.018 -3.056 1.00 73.31 C ATOM 325 CG1 ILE X 19 8.680 2.431 -2.688 1.00 71.33 C ATOM 326 CG2 ILE X 19 7.633 0.320 -1.822 1.00 73.03 C ATOM 327 CD1 ILE X 19 8.980 2.510 -1.190 1.00 44.32 C ATOM 0 H ILE X 19 8.029 -1.435 -3.500 1.00 64.10 H new ATOM 0 HA ILE X 19 9.736 0.665 -4.531 1.00 23.24 H new ATOM 0 HB ILE X 19 7.431 1.087 -3.817 1.00 73.31 H new ATOM 0 HG12 ILE X 19 9.572 2.685 -3.260 1.00 71.33 H new ATOM 0 HG13 ILE X 19 7.914 3.160 -2.953 1.00 71.33 H new ATOM 0 HG21 ILE X 19 6.793 0.897 -1.436 1.00 73.03 H new ATOM 0 HG22 ILE X 19 7.292 -0.679 -2.095 1.00 73.03 H new ATOM 0 HG23 ILE X 19 8.404 0.243 -1.055 1.00 73.03 H new ATOM 0 HD11 ILE X 19 9.314 3.517 -0.938 1.00 44.32 H new ATOM 0 HD12 ILE X 19 8.078 2.276 -0.625 1.00 44.32 H new ATOM 0 HD13 ILE X 19 9.762 1.794 -0.937 1.00 44.32 H new ATOM 339 N LEU X 20 10.581 -0.751 -1.713 1.00 24.32 N ATOM 340 CA LEU X 20 11.693 -0.803 -0.720 1.00 24.32 C ATOM 341 C LEU X 20 13.014 -1.037 -1.464 1.00 3.21 C ATOM 342 O LEU X 20 14.050 -0.531 -1.080 1.00 52.12 O ATOM 343 CB LEU X 20 11.460 -1.958 0.260 1.00 61.32 C ATOM 344 CG LEU X 20 10.453 -1.552 1.341 1.00 52.11 C ATOM 345 CD1 LEU X 20 10.046 -2.795 2.135 1.00 42.33 C ATOM 346 CD2 LEU X 20 11.086 -0.535 2.294 1.00 1.53 C ATOM 0 H LEU X 20 9.899 -1.506 -1.643 1.00 24.32 H new ATOM 0 HA LEU X 20 11.732 0.137 -0.169 1.00 24.32 H new ATOM 0 HB2 LEU X 20 11.091 -2.831 -0.279 1.00 61.32 H new ATOM 0 HB3 LEU X 20 12.404 -2.245 0.724 1.00 61.32 H new ATOM 0 HG LEU X 20 9.579 -1.104 0.868 1.00 52.11 H new ATOM 0 HD11 LEU X 20 9.329 -2.515 2.907 1.00 42.33 H new ATOM 0 HD12 LEU X 20 9.590 -3.523 1.463 1.00 42.33 H new ATOM 0 HD13 LEU X 20 10.928 -3.234 2.601 1.00 42.33 H new ATOM 0 HD21 LEU X 20 10.362 -0.253 3.058 1.00 1.53 H new ATOM 0 HD22 LEU X 20 11.962 -0.977 2.769 1.00 1.53 H new ATOM 0 HD23 LEU X 20 11.386 0.351 1.734 1.00 1.53 H new ATOM 358 N LYS X 21 12.984 -1.806 -2.523 1.00 51.41 N ATOM 359 CA LYS X 21 14.235 -2.069 -3.294 1.00 23.32 C ATOM 360 C LYS X 21 14.535 -0.874 -4.203 1.00 41.24 C ATOM 361 O LYS X 21 14.408 -0.952 -5.409 1.00 12.12 O ATOM 362 CB LYS X 21 14.057 -3.330 -4.149 1.00 1.20 C ATOM 363 CG LYS X 21 13.640 -4.511 -3.262 1.00 45.32 C ATOM 364 CD LYS X 21 14.793 -4.887 -2.327 1.00 53.01 C ATOM 365 CE LYS X 21 14.550 -6.281 -1.742 1.00 14.11 C ATOM 366 NZ LYS X 21 15.716 -6.685 -0.906 1.00 3.33 N ATOM 0 H LYS X 21 12.147 -2.262 -2.886 1.00 51.41 H new ATOM 0 HA LYS X 21 15.063 -2.216 -2.601 1.00 23.32 H new ATOM 0 HB2 LYS X 21 13.302 -3.156 -4.916 1.00 1.20 H new ATOM 0 HB3 LYS X 21 14.988 -3.563 -4.666 1.00 1.20 H new ATOM 0 HG2 LYS X 21 12.758 -4.247 -2.679 1.00 45.32 H new ATOM 0 HG3 LYS X 21 13.368 -5.365 -3.882 1.00 45.32 H new ATOM 0 HD2 LYS X 21 15.736 -4.871 -2.873 1.00 53.01 H new ATOM 0 HD3 LYS X 21 14.876 -4.155 -1.524 1.00 53.01 H new ATOM 0 HE2 LYS X 21 13.641 -6.280 -1.140 1.00 14.11 H new ATOM 0 HE3 LYS X 21 14.399 -7.002 -2.545 1.00 14.11 H new ATOM 0 HZ1 LYS X 21 15.892 -7.703 -1.024 1.00 3.33 H new ATOM 0 HZ2 LYS X 21 16.558 -6.152 -1.204 1.00 3.33 H new ATOM 0 HZ3 LYS X 21 15.513 -6.482 0.094 1.00 3.33 H new ATOM 380 N ALA X 22 14.926 0.234 -3.635 1.00 31.54 N ATOM 381 CA ALA X 22 15.227 1.434 -4.467 1.00 64.32 C ATOM 382 C ALA X 22 16.388 1.138 -5.424 1.00 54.30 C ATOM 383 O ALA X 22 16.380 1.543 -6.569 1.00 74.30 O ATOM 384 CB ALA X 22 15.597 2.604 -3.550 1.00 53.22 C ATOM 0 H ALA X 22 15.050 0.360 -2.630 1.00 31.54 H new ATOM 0 HA ALA X 22 14.347 1.693 -5.055 1.00 64.32 H new ATOM 0 HB1 ALA X 22 15.818 3.484 -4.154 1.00 53.22 H new ATOM 0 HB2 ALA X 22 14.763 2.822 -2.883 1.00 53.22 H new ATOM 0 HB3 ALA X 22 16.474 2.340 -2.959 1.00 53.22 H new ATOM 390 N ARG X 23 17.384 0.430 -4.962 1.00 53.34 N ATOM 391 CA ARG X 23 18.544 0.103 -5.844 1.00 5.01 C ATOM 392 C ARG X 23 18.036 -0.475 -7.174 1.00 70.42 C ATOM 393 O ARG X 23 18.528 -0.143 -8.236 1.00 73.32 O ATOM 394 CB ARG X 23 19.454 -0.919 -5.138 1.00 23.53 C ATOM 395 CG ARG X 23 20.183 -0.244 -3.961 1.00 11.32 C ATOM 396 CD ARG X 23 21.041 -1.281 -3.203 1.00 32.35 C ATOM 397 NE ARG X 23 21.749 -0.607 -2.067 1.00 24.14 N ATOM 398 CZ ARG X 23 22.327 -1.320 -1.127 1.00 23.13 C ATOM 399 NH1 ARG X 23 22.284 -2.620 -1.174 1.00 3.14 N ATOM 400 NH2 ARG X 23 22.939 -0.728 -0.131 1.00 50.41 N ATOM 0 H ARG X 23 17.445 0.064 -4.012 1.00 53.34 H new ATOM 0 HA ARG X 23 19.114 1.010 -6.047 1.00 5.01 H new ATOM 0 HB2 ARG X 23 18.861 -1.759 -4.777 1.00 23.53 H new ATOM 0 HB3 ARG X 23 20.180 -1.322 -5.844 1.00 23.53 H new ATOM 0 HG2 ARG X 23 20.816 0.563 -4.330 1.00 11.32 H new ATOM 0 HG3 ARG X 23 19.457 0.205 -3.283 1.00 11.32 H new ATOM 0 HD2 ARG X 23 20.410 -2.086 -2.826 1.00 32.35 H new ATOM 0 HD3 ARG X 23 21.765 -1.734 -3.880 1.00 32.35 H new ATOM 0 HE ARG X 23 21.782 0.412 -2.023 1.00 24.14 H new ATOM 0 HH11 ARG X 23 21.801 -3.087 -1.942 1.00 3.14 H new ATOM 0 HH12 ARG X 23 22.733 -3.172 -0.443 1.00 3.14 H new ATOM 0 HH21 ARG X 23 22.968 0.290 -0.083 1.00 50.41 H new ATOM 0 HH22 ARG X 23 23.386 -1.286 0.597 1.00 50.41 H new ATOM 414 N TRP X 24 17.056 -1.344 -7.120 1.00 72.12 N ATOM 415 CA TRP X 24 16.505 -1.935 -8.377 1.00 10.13 C ATOM 416 C TRP X 24 16.264 -0.828 -9.408 1.00 14.10 C ATOM 417 O TRP X 24 15.768 0.230 -9.079 1.00 12.03 O ATOM 418 CB TRP X 24 15.179 -2.643 -8.076 1.00 63.50 C ATOM 419 CG TRP X 24 14.818 -3.579 -9.191 1.00 41.34 C ATOM 420 CD1 TRP X 24 13.922 -3.319 -10.174 1.00 24.24 C ATOM 421 CD2 TRP X 24 15.345 -4.910 -9.464 1.00 45.10 C ATOM 422 NE1 TRP X 24 13.869 -4.407 -11.030 1.00 2.31 N ATOM 423 CE2 TRP X 24 14.726 -5.414 -10.631 1.00 12.53 C ATOM 424 CE3 TRP X 24 16.288 -5.723 -8.810 1.00 42.32 C ATOM 425 CZ2 TRP X 24 15.040 -6.678 -11.139 1.00 1.00 C ATOM 426 CZ3 TRP X 24 16.606 -6.994 -9.316 1.00 41.52 C ATOM 427 CH2 TRP X 24 15.981 -7.472 -10.477 1.00 63.21 C ATOM 0 H TRP X 24 16.615 -1.669 -6.260 1.00 72.12 H new ATOM 0 HA TRP X 24 17.221 -2.654 -8.776 1.00 10.13 H new ATOM 0 HB2 TRP X 24 15.260 -3.197 -7.140 1.00 63.50 H new ATOM 0 HB3 TRP X 24 14.388 -1.905 -7.942 1.00 63.50 H new ATOM 0 HD1 TRP X 24 13.344 -2.412 -10.274 1.00 24.24 H new ATOM 0 HE1 TRP X 24 13.270 -4.458 -11.854 1.00 2.31 H new ATOM 0 HE3 TRP X 24 16.771 -5.367 -7.912 1.00 42.32 H new ATOM 0 HZ2 TRP X 24 14.559 -7.038 -12.036 1.00 1.00 H new ATOM 0 HZ3 TRP X 24 17.336 -7.607 -8.808 1.00 41.52 H new ATOM 0 HH2 TRP X 24 16.226 -8.452 -10.859 1.00 63.21 H new ATOM 438 N PRO X 25 16.638 -1.063 -10.640 1.00 33.11 N ATOM 439 CA PRO X 25 16.484 -0.059 -11.739 1.00 62.14 C ATOM 440 C PRO X 25 15.033 0.116 -12.179 1.00 0.42 C ATOM 441 O PRO X 25 14.212 -0.763 -12.013 1.00 5.34 O ATOM 442 CB PRO X 25 17.323 -0.640 -12.882 1.00 30.53 C ATOM 443 CG PRO X 25 17.266 -2.115 -12.682 1.00 35.14 C ATOM 444 CD PRO X 25 17.253 -2.328 -11.168 1.00 5.53 C ATOM 0 HA PRO X 25 16.803 0.934 -11.421 1.00 62.14 H new ATOM 0 HB2 PRO X 25 16.919 -0.356 -13.854 1.00 30.53 H new ATOM 0 HB3 PRO X 25 18.349 -0.275 -12.845 1.00 30.53 H new ATOM 0 HG2 PRO X 25 16.374 -2.538 -13.144 1.00 35.14 H new ATOM 0 HG3 PRO X 25 18.126 -2.605 -13.139 1.00 35.14 H new ATOM 0 HD2 PRO X 25 16.667 -3.205 -10.891 1.00 5.53 H new ATOM 0 HD3 PRO X 25 18.259 -2.479 -10.776 1.00 5.53 H new ATOM 452 N TRP X 26 14.709 1.247 -12.748 1.00 41.23 N ATOM 453 CA TRP X 26 13.309 1.478 -13.205 1.00 64.54 C ATOM 454 C TRP X 26 12.364 1.407 -12.006 1.00 15.24 C ATOM 455 O TRP X 26 11.171 1.232 -12.153 1.00 71.20 O ATOM 456 CB TRP X 26 12.918 0.405 -14.224 1.00 42.25 C ATOM 457 CG TRP X 26 11.688 0.838 -14.954 1.00 73.43 C ATOM 458 CD1 TRP X 26 10.441 0.363 -14.727 1.00 23.34 C ATOM 459 CD2 TRP X 26 11.565 1.821 -16.020 1.00 31.55 C ATOM 460 NE1 TRP X 26 9.560 0.993 -15.589 1.00 34.31 N ATOM 461 CE2 TRP X 26 10.206 1.900 -16.406 1.00 12.41 C ATOM 462 CE3 TRP X 26 12.493 2.644 -16.684 1.00 12.31 C ATOM 463 CZ2 TRP X 26 9.782 2.766 -17.415 1.00 61.04 C ATOM 464 CZ3 TRP X 26 12.071 3.515 -17.699 1.00 31.33 C ATOM 465 CH2 TRP X 26 10.718 3.577 -18.064 1.00 33.04 C ATOM 0 H TRP X 26 15.353 2.020 -12.916 1.00 41.23 H new ATOM 0 HA TRP X 26 13.238 2.462 -13.669 1.00 64.54 H new ATOM 0 HB2 TRP X 26 13.734 0.242 -14.928 1.00 42.25 H new ATOM 0 HB3 TRP X 26 12.739 -0.544 -13.719 1.00 42.25 H new ATOM 0 HD1 TRP X 26 10.177 -0.385 -13.994 1.00 23.34 H new ATOM 0 HE1 TRP X 26 8.557 0.810 -15.617 1.00 34.31 H new ATOM 0 HE3 TRP X 26 13.537 2.605 -16.410 1.00 12.31 H new ATOM 0 HZ2 TRP X 26 8.739 2.809 -17.692 1.00 61.04 H new ATOM 0 HZ3 TRP X 26 12.792 4.142 -18.203 1.00 31.33 H new ATOM 0 HH2 TRP X 26 10.400 4.251 -18.846 1.00 33.04 H new ATOM 476 N ALA X 27 12.886 1.536 -10.816 1.00 44.14 N ATOM 477 CA ALA X 27 12.012 1.469 -9.612 1.00 11.02 C ATOM 478 C ALA X 27 11.164 2.741 -9.518 1.00 24.13 C ATOM 479 O ALA X 27 9.949 2.691 -9.503 1.00 21.31 O ATOM 480 CB ALA X 27 12.883 1.339 -8.360 1.00 4.41 C ATOM 0 H ALA X 27 13.877 1.684 -10.627 1.00 44.14 H new ATOM 0 HA ALA X 27 11.353 0.604 -9.690 1.00 11.02 H new ATOM 0 HB1 ALA X 27 12.246 1.290 -7.477 1.00 4.41 H new ATOM 0 HB2 ALA X 27 13.482 0.431 -8.426 1.00 4.41 H new ATOM 0 HB3 ALA X 27 13.542 2.204 -8.284 1.00 4.41 H new ATOM 486 N GLU X 28 11.800 3.880 -9.458 1.00 53.10 N ATOM 487 CA GLU X 28 11.042 5.161 -9.367 1.00 44.13 C ATOM 488 C GLU X 28 9.998 5.043 -8.256 1.00 60.03 C ATOM 489 O GLU X 28 9.917 4.044 -7.566 1.00 42.45 O ATOM 490 CB GLU X 28 10.346 5.441 -10.701 1.00 2.13 C ATOM 491 CG GLU X 28 11.394 5.746 -11.773 1.00 13.34 C ATOM 492 CD GLU X 28 10.701 5.928 -13.127 1.00 63.53 C ATOM 493 OE1 GLU X 28 9.492 5.774 -13.178 1.00 60.30 O ATOM 494 OE2 GLU X 28 11.392 6.219 -14.089 1.00 11.13 O ATOM 0 H GLU X 28 12.815 3.979 -9.468 1.00 53.10 H new ATOM 0 HA GLU X 28 11.726 5.980 -9.143 1.00 44.13 H new ATOM 0 HB2 GLU X 28 9.747 4.580 -10.998 1.00 2.13 H new ATOM 0 HB3 GLU X 28 9.662 6.284 -10.596 1.00 2.13 H new ATOM 0 HG2 GLU X 28 11.946 6.648 -11.511 1.00 13.34 H new ATOM 0 HG3 GLU X 28 12.119 4.934 -11.830 1.00 13.34 H new ATOM 501 N LYS X 29 9.191 6.054 -8.087 1.00 72.12 N ATOM 502 CA LYS X 29 8.139 6.005 -7.033 1.00 1.31 C ATOM 503 C LYS X 29 6.865 5.390 -7.618 1.00 42.44 C ATOM 504 O LYS X 29 6.476 5.690 -8.730 1.00 63.31 O ATOM 505 CB LYS X 29 7.846 7.423 -6.527 1.00 11.04 C ATOM 506 CG LYS X 29 9.061 7.967 -5.769 1.00 4.11 C ATOM 507 CD LYS X 29 8.828 9.438 -5.415 1.00 45.44 C ATOM 508 CE LYS X 29 7.765 9.544 -4.317 1.00 1.23 C ATOM 509 NZ LYS X 29 7.821 10.895 -3.693 1.00 25.11 N ATOM 0 H LYS X 29 9.215 6.914 -8.635 1.00 72.12 H new ATOM 0 HA LYS X 29 8.487 5.395 -6.199 1.00 1.31 H new ATOM 0 HB2 LYS X 29 7.608 8.076 -7.366 1.00 11.04 H new ATOM 0 HB3 LYS X 29 6.974 7.412 -5.874 1.00 11.04 H new ATOM 0 HG2 LYS X 29 9.227 7.386 -4.862 1.00 4.11 H new ATOM 0 HG3 LYS X 29 9.958 7.867 -6.380 1.00 4.11 H new ATOM 0 HD2 LYS X 29 9.759 9.893 -5.078 1.00 45.44 H new ATOM 0 HD3 LYS X 29 8.507 9.988 -6.299 1.00 45.44 H new ATOM 0 HE2 LYS X 29 6.775 9.368 -4.738 1.00 1.23 H new ATOM 0 HE3 LYS X 29 7.931 8.776 -3.561 1.00 1.23 H new ATOM 0 HZ1 LYS X 29 7.098 10.964 -2.948 1.00 25.11 H new ATOM 0 HZ2 LYS X 29 8.762 11.047 -3.277 1.00 25.11 H new ATOM 0 HZ3 LYS X 29 7.642 11.620 -4.417 1.00 25.11 H new ATOM 523 N LEU X 30 6.208 4.535 -6.878 1.00 33.14 N ATOM 524 CA LEU X 30 4.961 3.908 -7.399 1.00 43.23 C ATOM 525 C LEU X 30 3.761 4.433 -6.606 1.00 4.24 C ATOM 526 O LEU X 30 3.739 4.384 -5.392 1.00 34.44 O ATOM 527 CB LEU X 30 5.053 2.380 -7.275 1.00 65.34 C ATOM 528 CG LEU X 30 6.319 1.864 -7.969 1.00 1.10 C ATOM 529 CD1 LEU X 30 6.414 0.349 -7.798 1.00 41.00 C ATOM 530 CD2 LEU X 30 6.252 2.195 -9.464 1.00 35.33 C ATOM 0 H LEU X 30 6.481 4.246 -5.939 1.00 33.14 H new ATOM 0 HA LEU X 30 4.835 4.164 -8.451 1.00 43.23 H new ATOM 0 HB2 LEU X 30 5.065 2.094 -6.223 1.00 65.34 H new ATOM 0 HB3 LEU X 30 4.172 1.919 -7.721 1.00 65.34 H new ATOM 0 HG LEU X 30 7.193 2.340 -7.524 1.00 1.10 H new ATOM 0 HD11 LEU X 30 7.314 -0.017 -8.292 1.00 41.00 H new ATOM 0 HD12 LEU X 30 6.457 0.105 -6.737 1.00 41.00 H new ATOM 0 HD13 LEU X 30 5.538 -0.123 -8.244 1.00 41.00 H new ATOM 0 HD21 LEU X 30 7.152 1.829 -9.958 1.00 35.33 H new ATOM 0 HD22 LEU X 30 5.376 1.717 -9.904 1.00 35.33 H new ATOM 0 HD23 LEU X 30 6.180 3.275 -9.595 1.00 35.33 H new ATOM 542 N ILE X 31 2.757 4.923 -7.283 1.00 13.34 N ATOM 543 CA ILE X 31 1.557 5.448 -6.565 1.00 64.14 C ATOM 544 C ILE X 31 0.289 5.023 -7.315 1.00 64.54 C ATOM 545 O ILE X 31 -0.740 4.773 -6.722 1.00 62.20 O ATOM 546 CB ILE X 31 1.620 6.979 -6.506 1.00 44.23 C ATOM 547 CG1 ILE X 31 2.799 7.407 -5.625 1.00 61.44 C ATOM 548 CG2 ILE X 31 0.317 7.518 -5.912 1.00 71.52 C ATOM 549 CD1 ILE X 31 3.024 8.916 -5.759 1.00 54.55 C ATOM 0 H ILE X 31 2.715 4.983 -8.300 1.00 13.34 H new ATOM 0 HA ILE X 31 1.538 5.046 -5.552 1.00 64.14 H new ATOM 0 HB ILE X 31 1.754 7.378 -7.511 1.00 44.23 H new ATOM 0 HG12 ILE X 31 2.600 7.151 -4.585 1.00 61.44 H new ATOM 0 HG13 ILE X 31 3.700 6.868 -5.919 1.00 61.44 H new ATOM 0 HG21 ILE X 31 0.360 8.606 -5.869 1.00 71.52 H new ATOM 0 HG22 ILE X 31 -0.522 7.212 -6.537 1.00 71.52 H new ATOM 0 HG23 ILE X 31 0.184 7.120 -4.906 1.00 71.52 H new ATOM 0 HD11 ILE X 31 3.863 9.216 -5.131 1.00 54.55 H new ATOM 0 HD12 ILE X 31 3.243 9.160 -6.798 1.00 54.55 H new ATOM 0 HD13 ILE X 31 2.126 9.447 -5.443 1.00 54.55 H new ATOM 561 N ALA X 32 0.358 4.943 -8.617 1.00 11.53 N ATOM 562 CA ALA X 32 -0.841 4.550 -9.411 1.00 65.33 C ATOM 563 C ALA X 32 -1.299 3.146 -9.000 1.00 53.52 C ATOM 564 O ALA X 32 -2.453 2.927 -8.686 1.00 50.42 O ATOM 565 CB ALA X 32 -0.482 4.554 -10.898 1.00 32.50 C ATOM 0 H ALA X 32 1.196 5.134 -9.166 1.00 11.53 H new ATOM 0 HA ALA X 32 -1.648 5.258 -9.224 1.00 65.33 H new ATOM 0 HB1 ALA X 32 -1.355 4.267 -11.484 1.00 32.50 H new ATOM 0 HB2 ALA X 32 -0.160 5.553 -11.192 1.00 32.50 H new ATOM 0 HB3 ALA X 32 0.325 3.845 -11.079 1.00 32.50 H new ATOM 571 N GLU X 33 -0.405 2.196 -9.000 1.00 12.14 N ATOM 572 CA GLU X 33 -0.790 0.807 -8.615 1.00 34.15 C ATOM 573 C GLU X 33 -1.477 0.830 -7.245 1.00 20.35 C ATOM 574 O GLU X 33 -2.540 0.270 -7.066 1.00 1.03 O ATOM 575 CB GLU X 33 0.468 -0.066 -8.543 1.00 61.15 C ATOM 576 CG GLU X 33 1.069 -0.233 -9.943 1.00 23.50 C ATOM 577 CD GLU X 33 1.913 0.996 -10.290 1.00 42.02 C ATOM 578 OE1 GLU X 33 1.919 1.926 -9.500 1.00 62.24 O ATOM 579 OE2 GLU X 33 2.534 0.988 -11.338 1.00 2.42 O ATOM 0 H GLU X 33 0.576 2.321 -9.250 1.00 12.14 H new ATOM 0 HA GLU X 33 -1.475 0.398 -9.357 1.00 34.15 H new ATOM 0 HB2 GLU X 33 1.200 0.390 -7.876 1.00 61.15 H new ATOM 0 HB3 GLU X 33 0.220 -1.042 -8.125 1.00 61.15 H new ATOM 0 HG2 GLU X 33 1.685 -1.132 -9.981 1.00 23.50 H new ATOM 0 HG3 GLU X 33 0.274 -0.360 -10.678 1.00 23.50 H new ATOM 586 N ARG X 34 -0.882 1.477 -6.278 1.00 72.02 N ATOM 587 CA ARG X 34 -1.509 1.543 -4.924 1.00 40.04 C ATOM 588 C ARG X 34 -2.874 2.209 -5.035 1.00 13.35 C ATOM 589 O ARG X 34 -3.837 1.783 -4.432 1.00 44.33 O ATOM 590 CB ARG X 34 -0.609 2.365 -3.984 1.00 64.13 C ATOM 591 CG ARG X 34 0.492 1.483 -3.369 1.00 70.43 C ATOM 592 CD ARG X 34 0.106 1.121 -1.950 1.00 31.35 C ATOM 593 NE ARG X 34 -1.367 0.807 -1.835 1.00 20.42 N ATOM 594 CZ ARG X 34 -1.792 0.288 -0.730 1.00 54.30 C ATOM 595 NH1 ARG X 34 -0.941 0.065 0.232 1.00 52.41 N ATOM 596 NH2 ARG X 34 -3.056 0.006 -0.568 1.00 45.20 N ATOM 0 H ARG X 34 0.011 1.963 -6.366 1.00 72.02 H new ATOM 0 HA ARG X 34 -1.626 0.536 -4.524 1.00 40.04 H new ATOM 0 HB2 ARG X 34 -0.155 3.188 -4.536 1.00 64.13 H new ATOM 0 HB3 ARG X 34 -1.212 2.807 -3.191 1.00 64.13 H new ATOM 0 HG2 ARG X 34 0.625 0.579 -3.964 1.00 70.43 H new ATOM 0 HG3 ARG X 34 1.445 2.013 -3.376 1.00 70.43 H new ATOM 0 HD2 ARG X 34 0.688 0.260 -1.623 1.00 31.35 H new ATOM 0 HD3 ARG X 34 0.355 1.946 -1.283 1.00 31.35 H new ATOM 0 HE ARG X 34 -2.007 0.999 -2.606 1.00 20.42 H new ATOM 0 HH11 ARG X 34 0.044 0.300 0.106 1.00 52.41 H new ATOM 0 HH12 ARG X 34 -1.260 -0.344 1.110 1.00 52.41 H new ATOM 0 HH21 ARG X 34 -3.721 0.195 -1.318 1.00 45.20 H new ATOM 0 HH22 ARG X 34 -3.379 -0.403 0.309 1.00 45.20 H new ATOM 610 N ASN X 35 -2.966 3.258 -5.805 1.00 61.23 N ATOM 611 CA ASN X 35 -4.271 3.950 -5.959 1.00 0.11 C ATOM 612 C ASN X 35 -5.286 2.982 -6.584 1.00 14.32 C ATOM 613 O ASN X 35 -6.412 2.870 -6.139 1.00 55.04 O ATOM 614 CB ASN X 35 -4.101 5.173 -6.865 1.00 42.43 C ATOM 615 CG ASN X 35 -5.466 5.812 -7.113 1.00 15.21 C ATOM 616 OD1 ASN X 35 -6.437 5.125 -7.372 1.00 72.22 O ATOM 617 ND2 ASN X 35 -5.582 7.109 -7.051 1.00 2.04 N ATOM 0 H ASN X 35 -2.193 3.664 -6.333 1.00 61.23 H new ATOM 0 HA ASN X 35 -4.630 4.275 -4.982 1.00 0.11 H new ATOM 0 HB2 ASN X 35 -3.429 5.894 -6.400 1.00 42.43 H new ATOM 0 HB3 ASN X 35 -3.647 4.878 -7.811 1.00 42.43 H new ATOM 0 HD21 ASN X 35 -6.487 7.549 -7.220 1.00 2.04 H new ATOM 0 HD22 ASN X 35 -4.768 7.684 -6.834 1.00 2.04 H new ATOM 624 N SER X 36 -4.891 2.272 -7.607 1.00 55.10 N ATOM 625 CA SER X 36 -5.828 1.310 -8.255 1.00 1.15 C ATOM 626 C SER X 36 -6.535 0.492 -7.170 1.00 53.53 C ATOM 627 O SER X 36 -7.603 0.843 -6.709 1.00 51.50 O ATOM 628 CB SER X 36 -5.035 0.369 -9.159 1.00 73.03 C ATOM 629 OG SER X 36 -4.737 1.032 -10.382 1.00 70.44 O ATOM 0 H SER X 36 -3.960 2.317 -8.022 1.00 55.10 H new ATOM 0 HA SER X 36 -6.565 1.853 -8.847 1.00 1.15 H new ATOM 0 HB2 SER X 36 -4.113 0.062 -8.665 1.00 73.03 H new ATOM 0 HB3 SER X 36 -5.609 -0.537 -9.354 1.00 73.03 H new ATOM 0 HG SER X 36 -4.226 0.431 -10.964 1.00 70.44 H new ATOM 635 N LEU X 37 -5.941 -0.599 -6.759 1.00 22.01 N ATOM 636 CA LEU X 37 -6.563 -1.432 -5.686 1.00 1.22 C ATOM 637 C LEU X 37 -7.378 -0.532 -4.749 1.00 10.02 C ATOM 638 O LEU X 37 -8.471 -0.867 -4.339 1.00 14.53 O ATOM 639 CB LEU X 37 -5.474 -2.119 -4.854 1.00 40.04 C ATOM 640 CG LEU X 37 -4.555 -2.990 -5.728 1.00 2.42 C ATOM 641 CD1 LEU X 37 -5.345 -3.636 -6.867 1.00 53.04 C ATOM 642 CD2 LEU X 37 -3.428 -2.133 -6.306 1.00 2.43 C ATOM 0 H LEU X 37 -5.053 -0.949 -7.119 1.00 22.01 H new ATOM 0 HA LEU X 37 -7.203 -2.180 -6.154 1.00 1.22 H new ATOM 0 HB2 LEU X 37 -4.879 -1.365 -4.339 1.00 40.04 H new ATOM 0 HB3 LEU X 37 -5.939 -2.737 -4.086 1.00 40.04 H new ATOM 0 HG LEU X 37 -4.132 -3.779 -5.106 1.00 2.42 H new ATOM 0 HD11 LEU X 37 -4.676 -4.247 -7.473 1.00 53.04 H new ATOM 0 HD12 LEU X 37 -6.134 -4.263 -6.452 1.00 53.04 H new ATOM 0 HD13 LEU X 37 -5.789 -2.858 -7.489 1.00 53.04 H new ATOM 0 HD21 LEU X 37 -2.779 -2.754 -6.924 1.00 2.43 H new ATOM 0 HD22 LEU X 37 -3.853 -1.334 -6.914 1.00 2.43 H new ATOM 0 HD23 LEU X 37 -2.847 -1.699 -5.492 1.00 2.43 H new ATOM 654 N ALA X 38 -6.833 0.601 -4.389 1.00 52.33 N ATOM 655 CA ALA X 38 -7.546 1.525 -3.453 1.00 55.24 C ATOM 656 C ALA X 38 -8.992 1.750 -3.908 1.00 43.21 C ATOM 657 O ALA X 38 -9.917 1.674 -3.125 1.00 2.41 O ATOM 658 CB ALA X 38 -6.821 2.871 -3.422 1.00 2.34 C ATOM 0 H ALA X 38 -5.920 0.929 -4.704 1.00 52.33 H new ATOM 0 HA ALA X 38 -7.554 1.075 -2.460 1.00 55.24 H new ATOM 0 HB1 ALA X 38 -7.338 3.547 -2.741 1.00 2.34 H new ATOM 0 HB2 ALA X 38 -5.796 2.725 -3.080 1.00 2.34 H new ATOM 0 HB3 ALA X 38 -6.811 3.302 -4.423 1.00 2.34 H new ATOM 664 N LYS X 39 -9.188 2.039 -5.163 1.00 51.35 N ATOM 665 CA LYS X 39 -10.573 2.269 -5.671 1.00 14.11 C ATOM 666 C LYS X 39 -11.360 0.953 -5.667 1.00 15.30 C ATOM 667 O LYS X 39 -12.471 0.888 -5.178 1.00 51.01 O ATOM 668 CB LYS X 39 -10.494 2.815 -7.098 1.00 14.03 C ATOM 669 CG LYS X 39 -11.899 2.855 -7.712 1.00 21.04 C ATOM 670 CD LYS X 39 -12.091 1.655 -8.642 1.00 32.12 C ATOM 671 CE LYS X 39 -11.495 1.964 -10.018 1.00 71.54 C ATOM 672 NZ LYS X 39 -12.471 2.755 -10.821 1.00 22.11 N ATOM 0 H LYS X 39 -8.450 2.127 -5.862 1.00 51.35 H new ATOM 0 HA LYS X 39 -11.082 2.985 -5.026 1.00 14.11 H new ATOM 0 HB2 LYS X 39 -10.060 3.815 -7.092 1.00 14.03 H new ATOM 0 HB3 LYS X 39 -9.840 2.187 -7.703 1.00 14.03 H new ATOM 0 HG2 LYS X 39 -12.651 2.840 -6.923 1.00 21.04 H new ATOM 0 HG3 LYS X 39 -12.037 3.783 -8.267 1.00 21.04 H new ATOM 0 HD2 LYS X 39 -11.611 0.774 -8.217 1.00 32.12 H new ATOM 0 HD3 LYS X 39 -13.152 1.424 -8.739 1.00 32.12 H new ATOM 0 HE2 LYS X 39 -10.565 2.521 -9.906 1.00 71.54 H new ATOM 0 HE3 LYS X 39 -11.250 1.037 -10.536 1.00 71.54 H new ATOM 0 HZ1 LYS X 39 -11.964 3.481 -11.367 1.00 22.11 H new ATOM 0 HZ2 LYS X 39 -12.978 2.123 -11.473 1.00 22.11 H new ATOM 0 HZ3 LYS X 39 -13.153 3.214 -10.184 1.00 22.11 H new ATOM 686 N ASP X 40 -10.796 -0.091 -6.204 1.00 34.42 N ATOM 687 CA ASP X 40 -11.512 -1.396 -6.230 1.00 32.52 C ATOM 688 C ASP X 40 -11.813 -1.840 -4.795 1.00 14.00 C ATOM 689 O ASP X 40 -12.884 -2.336 -4.500 1.00 34.33 O ATOM 690 CB ASP X 40 -10.626 -2.436 -6.920 1.00 53.03 C ATOM 691 CG ASP X 40 -10.594 -2.163 -8.426 1.00 55.24 C ATOM 692 OD1 ASP X 40 -11.454 -1.437 -8.895 1.00 2.04 O ATOM 693 OD2 ASP X 40 -9.710 -2.684 -9.085 1.00 35.04 O ATOM 0 H ASP X 40 -9.868 -0.097 -6.627 1.00 34.42 H new ATOM 0 HA ASP X 40 -12.450 -1.295 -6.777 1.00 32.52 H new ATOM 0 HB2 ASP X 40 -9.616 -2.397 -6.511 1.00 53.03 H new ATOM 0 HB3 ASP X 40 -11.009 -3.439 -6.730 1.00 53.03 H new ATOM 698 N VAL X 41 -10.878 -1.666 -3.900 1.00 65.22 N ATOM 699 CA VAL X 41 -11.117 -2.060 -2.484 1.00 12.21 C ATOM 700 C VAL X 41 -12.279 -1.238 -1.932 1.00 5.34 C ATOM 701 O VAL X 41 -13.152 -1.751 -1.258 1.00 13.04 O ATOM 702 CB VAL X 41 -9.856 -1.781 -1.661 1.00 0.52 C ATOM 703 CG1 VAL X 41 -10.157 -1.986 -0.175 1.00 52.23 C ATOM 704 CG2 VAL X 41 -8.739 -2.739 -2.089 1.00 21.13 C ATOM 0 H VAL X 41 -9.958 -1.267 -4.090 1.00 65.22 H new ATOM 0 HA VAL X 41 -11.357 -3.122 -2.428 1.00 12.21 H new ATOM 0 HB VAL X 41 -9.538 -0.752 -1.830 1.00 0.52 H new ATOM 0 HG11 VAL X 41 -9.258 -1.787 0.409 1.00 52.23 H new ATOM 0 HG12 VAL X 41 -10.949 -1.303 0.133 1.00 52.23 H new ATOM 0 HG13 VAL X 41 -10.478 -3.014 -0.007 1.00 52.23 H new ATOM 0 HG21 VAL X 41 -7.843 -2.538 -1.502 1.00 21.13 H new ATOM 0 HG22 VAL X 41 -9.059 -3.768 -1.923 1.00 21.13 H new ATOM 0 HG23 VAL X 41 -8.520 -2.593 -3.147 1.00 21.13 H new ATOM 714 N ALA X 42 -12.297 0.035 -2.216 1.00 4.32 N ATOM 715 CA ALA X 42 -13.398 0.902 -1.710 1.00 54.02 C ATOM 716 C ALA X 42 -14.736 0.204 -1.959 1.00 54.21 C ATOM 717 O ALA X 42 -15.563 0.086 -1.076 1.00 22.44 O ATOM 718 CB ALA X 42 -13.366 2.241 -2.449 1.00 4.44 C ATOM 0 H ALA X 42 -11.594 0.514 -2.779 1.00 4.32 H new ATOM 0 HA ALA X 42 -13.273 1.079 -0.642 1.00 54.02 H new ATOM 0 HB1 ALA X 42 -14.170 2.879 -2.082 1.00 4.44 H new ATOM 0 HB2 ALA X 42 -12.407 2.730 -2.275 1.00 4.44 H new ATOM 0 HB3 ALA X 42 -13.498 2.070 -3.517 1.00 4.44 H new ATOM 724 N GLU X 43 -14.947 -0.270 -3.158 1.00 64.53 N ATOM 725 CA GLU X 43 -16.225 -0.965 -3.479 1.00 1.42 C ATOM 726 C GLU X 43 -16.444 -2.098 -2.474 1.00 44.31 C ATOM 727 O GLU X 43 -17.389 -2.094 -1.711 1.00 32.33 O ATOM 728 CB GLU X 43 -16.142 -1.548 -4.895 1.00 2.31 C ATOM 729 CG GLU X 43 -17.470 -2.215 -5.264 1.00 34.32 C ATOM 730 CD GLU X 43 -17.395 -2.759 -6.690 1.00 53.12 C ATOM 731 OE1 GLU X 43 -16.299 -2.818 -7.221 1.00 2.21 O ATOM 732 OE2 GLU X 43 -18.432 -3.110 -7.226 1.00 10.31 O ATOM 0 H GLU X 43 -14.285 -0.205 -3.932 1.00 64.53 H new ATOM 0 HA GLU X 43 -17.054 -0.260 -3.424 1.00 1.42 H new ATOM 0 HB2 GLU X 43 -15.911 -0.758 -5.610 1.00 2.31 H new ATOM 0 HB3 GLU X 43 -15.332 -2.275 -4.951 1.00 2.31 H new ATOM 0 HG2 GLU X 43 -17.688 -3.024 -4.567 1.00 34.32 H new ATOM 0 HG3 GLU X 43 -18.285 -1.495 -5.181 1.00 34.32 H new ATOM 739 N ILE X 44 -15.570 -3.071 -2.471 1.00 4.10 N ATOM 740 CA ILE X 44 -15.716 -4.210 -1.517 1.00 0.14 C ATOM 741 C ILE X 44 -16.021 -3.667 -0.118 1.00 12.34 C ATOM 742 O ILE X 44 -16.822 -4.218 0.611 1.00 74.11 O ATOM 743 CB ILE X 44 -14.412 -5.007 -1.461 1.00 71.42 C ATOM 744 CG1 ILE X 44 -14.308 -5.950 -2.669 1.00 72.02 C ATOM 745 CG2 ILE X 44 -14.365 -5.823 -0.170 1.00 51.55 C ATOM 746 CD1 ILE X 44 -14.587 -5.185 -3.965 1.00 60.31 C ATOM 0 H ILE X 44 -14.760 -3.126 -3.089 1.00 4.10 H new ATOM 0 HA ILE X 44 -16.528 -4.855 -1.853 1.00 0.14 H new ATOM 0 HB ILE X 44 -13.574 -4.310 -1.485 1.00 71.42 H new ATOM 0 HG12 ILE X 44 -13.313 -6.394 -2.708 1.00 72.02 H new ATOM 0 HG13 ILE X 44 -15.019 -6.769 -2.562 1.00 72.02 H new ATOM 0 HG21 ILE X 44 -13.435 -6.390 -0.132 1.00 51.55 H new ATOM 0 HG22 ILE X 44 -14.416 -5.151 0.687 1.00 51.55 H new ATOM 0 HG23 ILE X 44 -15.211 -6.510 -0.143 1.00 51.55 H new ATOM 0 HD11 ILE X 44 -14.510 -5.865 -4.813 1.00 60.31 H new ATOM 0 HD12 ILE X 44 -15.591 -4.762 -3.929 1.00 60.31 H new ATOM 0 HD13 ILE X 44 -13.859 -4.382 -4.077 1.00 60.31 H new ATOM 758 N LYS X 45 -15.386 -2.588 0.261 1.00 1.40 N ATOM 759 CA LYS X 45 -15.605 -2.028 1.629 1.00 21.12 C ATOM 760 C LYS X 45 -17.087 -1.672 1.794 1.00 34.31 C ATOM 761 O LYS X 45 -17.705 -1.974 2.796 1.00 34.40 O ATOM 762 CB LYS X 45 -14.754 -0.764 1.815 1.00 33.24 C ATOM 763 CG LYS X 45 -13.265 -1.123 1.750 1.00 10.51 C ATOM 764 CD LYS X 45 -12.781 -1.566 3.137 1.00 23.05 C ATOM 765 CE LYS X 45 -11.248 -1.557 3.182 1.00 51.11 C ATOM 766 NZ LYS X 45 -10.742 -0.205 2.807 1.00 55.14 N ATOM 0 H LYS X 45 -14.725 -2.070 -0.318 1.00 1.40 H new ATOM 0 HA LYS X 45 -15.316 -2.768 2.375 1.00 21.12 H new ATOM 0 HB2 LYS X 45 -14.995 -0.035 1.041 1.00 33.24 H new ATOM 0 HB3 LYS X 45 -14.983 -0.299 2.774 1.00 33.24 H new ATOM 0 HG2 LYS X 45 -13.104 -1.921 1.026 1.00 10.51 H new ATOM 0 HG3 LYS X 45 -12.688 -0.263 1.410 1.00 10.51 H new ATOM 0 HD2 LYS X 45 -13.180 -0.899 3.901 1.00 23.05 H new ATOM 0 HD3 LYS X 45 -13.154 -2.566 3.360 1.00 23.05 H new ATOM 0 HE2 LYS X 45 -10.902 -1.821 4.182 1.00 51.11 H new ATOM 0 HE3 LYS X 45 -10.850 -2.307 2.499 1.00 51.11 H new ATOM 0 HZ1 LYS X 45 -9.729 -0.139 3.032 1.00 55.14 H new ATOM 0 HZ2 LYS X 45 -10.881 -0.053 1.788 1.00 55.14 H new ATOM 0 HZ3 LYS X 45 -11.263 0.521 3.340 1.00 55.14 H new ATOM 780 N ASN X 46 -17.659 -1.034 0.809 1.00 43.54 N ATOM 781 CA ASN X 46 -19.096 -0.655 0.890 1.00 12.52 C ATOM 782 C ASN X 46 -19.936 -1.925 1.020 1.00 21.15 C ATOM 783 O ASN X 46 -20.913 -1.969 1.743 1.00 23.45 O ATOM 784 CB ASN X 46 -19.480 0.096 -0.388 1.00 15.12 C ATOM 785 CG ASN X 46 -20.982 0.385 -0.396 1.00 62.51 C ATOM 786 OD1 ASN X 46 -21.676 0.045 -1.332 1.00 15.43 O ATOM 787 ND2 ASN X 46 -21.517 1.000 0.625 1.00 0.30 N ATOM 0 H ASN X 46 -17.188 -0.758 -0.053 1.00 43.54 H new ATOM 0 HA ASN X 46 -19.273 -0.015 1.754 1.00 12.52 H new ATOM 0 HB2 ASN X 46 -18.922 1.030 -0.452 1.00 15.12 H new ATOM 0 HB3 ASN X 46 -19.211 -0.497 -1.262 1.00 15.12 H new ATOM 0 HD21 ASN X 46 -22.518 1.195 0.636 1.00 0.30 H new ATOM 0 HD22 ASN X 46 -20.933 1.286 1.411 1.00 0.30 H new ATOM 794 N GLN X 47 -19.553 -2.966 0.333 1.00 12.45 N ATOM 795 CA GLN X 47 -20.328 -4.236 0.404 1.00 32.30 C ATOM 796 C GLN X 47 -20.015 -4.937 1.733 1.00 53.32 C ATOM 797 O GLN X 47 -20.690 -5.868 2.129 1.00 11.43 O ATOM 798 CB GLN X 47 -19.946 -5.136 -0.777 1.00 4.42 C ATOM 799 CG GLN X 47 -19.073 -6.293 -0.289 1.00 51.23 C ATOM 800 CD GLN X 47 -18.522 -7.064 -1.493 1.00 11.44 C ATOM 801 OE1 GLN X 47 -18.683 -6.647 -2.623 1.00 32.55 O ATOM 802 NE2 GLN X 47 -17.870 -8.179 -1.295 1.00 52.11 N ATOM 0 H GLN X 47 -18.735 -2.991 -0.276 1.00 12.45 H new ATOM 0 HA GLN X 47 -21.396 -4.026 0.351 1.00 32.30 H new ATOM 0 HB2 GLN X 47 -20.845 -5.524 -1.255 1.00 4.42 H new ATOM 0 HB3 GLN X 47 -19.410 -4.556 -1.529 1.00 4.42 H new ATOM 0 HG2 GLN X 47 -18.252 -5.912 0.318 1.00 51.23 H new ATOM 0 HG3 GLN X 47 -19.656 -6.959 0.346 1.00 51.23 H new ATOM 0 HE21 GLN X 47 -17.735 -8.529 -0.347 1.00 52.11 H new ATOM 0 HE22 GLN X 47 -17.496 -8.699 -2.089 1.00 52.11 H new ATOM 811 N LEU X 48 -19.009 -4.478 2.434 1.00 23.41 N ATOM 812 CA LEU X 48 -18.656 -5.104 3.743 1.00 23.21 C ATOM 813 C LEU X 48 -19.338 -4.313 4.866 1.00 23.21 C ATOM 814 O LEU X 48 -19.299 -4.690 6.021 1.00 42.10 O ATOM 815 CB LEU X 48 -17.137 -5.065 3.960 1.00 54.43 C ATOM 816 CG LEU X 48 -16.445 -6.115 3.082 1.00 21.10 C ATOM 817 CD1 LEU X 48 -14.932 -5.891 3.130 1.00 62.21 C ATOM 818 CD2 LEU X 48 -16.760 -7.520 3.605 1.00 63.20 C ATOM 0 H LEU X 48 -18.417 -3.696 2.155 1.00 23.41 H new ATOM 0 HA LEU X 48 -18.989 -6.142 3.746 1.00 23.21 H new ATOM 0 HB2 LEU X 48 -16.754 -4.073 3.721 1.00 54.43 H new ATOM 0 HB3 LEU X 48 -16.908 -5.251 5.009 1.00 54.43 H new ATOM 0 HG LEU X 48 -16.805 -6.022 2.057 1.00 21.10 H new ATOM 0 HD11 LEU X 48 -14.434 -6.635 2.508 1.00 62.21 H new ATOM 0 HD12 LEU X 48 -14.700 -4.893 2.759 1.00 62.21 H new ATOM 0 HD13 LEU X 48 -14.583 -5.986 4.158 1.00 62.21 H new ATOM 0 HD21 LEU X 48 -16.266 -8.261 2.977 1.00 63.20 H new ATOM 0 HD22 LEU X 48 -16.402 -7.616 4.630 1.00 63.20 H new ATOM 0 HD23 LEU X 48 -17.837 -7.684 3.581 1.00 63.20 H new ATOM 830 N GLY X 49 -19.967 -3.219 4.528 1.00 31.51 N ATOM 831 CA GLY X 49 -20.666 -2.395 5.558 1.00 52.23 C ATOM 832 C GLY X 49 -19.689 -1.951 6.655 1.00 24.13 C ATOM 833 O GLY X 49 -19.917 -2.183 7.825 1.00 73.55 O ATOM 0 H GLY X 49 -20.027 -2.858 3.576 1.00 31.51 H new ATOM 0 HA2 GLY X 49 -21.114 -1.520 5.087 1.00 52.23 H new ATOM 0 HA3 GLY X 49 -21.479 -2.970 6.000 1.00 52.23 H new ATOM 837 N ILE X 50 -18.613 -1.295 6.298 1.00 13.34 N ATOM 838 CA ILE X 50 -17.646 -0.832 7.340 1.00 11.33 C ATOM 839 C ILE X 50 -16.977 0.465 6.888 1.00 31.52 C ATOM 840 O ILE X 50 -16.953 0.786 5.717 1.00 24.14 O ATOM 841 CB ILE X 50 -16.569 -1.892 7.580 1.00 63.42 C ATOM 842 CG1 ILE X 50 -16.277 -2.656 6.284 1.00 11.22 C ATOM 843 CG2 ILE X 50 -17.055 -2.872 8.648 1.00 32.03 C ATOM 844 CD1 ILE X 50 -15.707 -1.699 5.233 1.00 5.54 C ATOM 0 H ILE X 50 -18.364 -1.061 5.337 1.00 13.34 H new ATOM 0 HA ILE X 50 -18.195 -0.662 8.266 1.00 11.33 H new ATOM 0 HB ILE X 50 -15.655 -1.401 7.914 1.00 63.42 H new ATOM 0 HG12 ILE X 50 -15.568 -3.461 6.478 1.00 11.22 H new ATOM 0 HG13 ILE X 50 -17.191 -3.118 5.910 1.00 11.22 H new ATOM 0 HG21 ILE X 50 -16.290 -3.629 8.822 1.00 32.03 H new ATOM 0 HG22 ILE X 50 -17.249 -2.333 9.575 1.00 32.03 H new ATOM 0 HG23 ILE X 50 -17.972 -3.354 8.309 1.00 32.03 H new ATOM 0 HD11 ILE X 50 -15.502 -2.248 4.314 1.00 5.54 H new ATOM 0 HD12 ILE X 50 -16.430 -0.909 5.030 1.00 5.54 H new ATOM 0 HD13 ILE X 50 -14.783 -1.257 5.606 1.00 5.54 H new ATOM 856 N PRO X 51 -16.455 1.215 7.820 1.00 60.05 N ATOM 857 CA PRO X 51 -15.774 2.515 7.538 1.00 1.24 C ATOM 858 C PRO X 51 -14.627 2.392 6.535 1.00 42.22 C ATOM 859 O PRO X 51 -13.863 1.445 6.562 1.00 64.40 O ATOM 860 CB PRO X 51 -15.255 2.955 8.909 1.00 10.33 C ATOM 861 CG PRO X 51 -15.233 1.705 9.718 1.00 22.02 C ATOM 862 CD PRO X 51 -16.461 0.915 9.269 1.00 33.50 C ATOM 0 HA PRO X 51 -16.456 3.229 7.077 1.00 1.24 H new ATOM 0 HB2 PRO X 51 -14.261 3.397 8.834 1.00 10.33 H new ATOM 0 HB3 PRO X 51 -15.905 3.706 9.357 1.00 10.33 H new ATOM 0 HG2 PRO X 51 -14.317 1.140 9.545 1.00 22.02 H new ATOM 0 HG3 PRO X 51 -15.275 1.926 10.785 1.00 22.02 H new ATOM 0 HD2 PRO X 51 -16.366 -0.152 9.473 1.00 33.50 H new ATOM 0 HD3 PRO X 51 -17.374 1.253 9.759 1.00 33.50 H new ATOM 870 N ILE X 52 -14.501 3.347 5.656 1.00 14.31 N ATOM 871 CA ILE X 52 -13.416 3.302 4.637 1.00 61.11 C ATOM 872 C ILE X 52 -12.063 3.408 5.338 1.00 41.22 C ATOM 873 O ILE X 52 -11.123 2.715 5.000 1.00 73.41 O ATOM 874 CB ILE X 52 -13.582 4.478 3.671 1.00 73.23 C ATOM 875 CG1 ILE X 52 -14.989 4.441 3.069 1.00 14.14 C ATOM 876 CG2 ILE X 52 -12.540 4.381 2.553 1.00 4.13 C ATOM 877 CD1 ILE X 52 -15.236 5.711 2.252 1.00 11.52 C ATOM 0 H ILE X 52 -15.109 4.164 5.600 1.00 14.31 H new ATOM 0 HA ILE X 52 -13.469 2.364 4.084 1.00 61.11 H new ATOM 0 HB ILE X 52 -13.439 5.415 4.210 1.00 73.23 H new ATOM 0 HG12 ILE X 52 -15.100 3.562 2.434 1.00 14.14 H new ATOM 0 HG13 ILE X 52 -15.732 4.357 3.862 1.00 14.14 H new ATOM 0 HG21 ILE X 52 -12.662 5.220 1.868 1.00 4.13 H new ATOM 0 HG22 ILE X 52 -11.540 4.408 2.985 1.00 4.13 H new ATOM 0 HG23 ILE X 52 -12.676 3.446 2.009 1.00 4.13 H new ATOM 0 HD11 ILE X 52 -16.239 5.680 1.826 1.00 11.52 H new ATOM 0 HD12 ILE X 52 -15.144 6.583 2.899 1.00 11.52 H new ATOM 0 HD13 ILE X 52 -14.502 5.775 1.449 1.00 11.52 H new ATOM 889 N ASN X 53 -11.954 4.270 6.307 1.00 60.42 N ATOM 890 CA ASN X 53 -10.660 4.422 7.021 1.00 61.31 C ATOM 891 C ASN X 53 -10.406 3.197 7.898 1.00 11.44 C ATOM 892 O ASN X 53 -11.276 2.737 8.612 1.00 10.11 O ATOM 893 CB ASN X 53 -10.687 5.671 7.899 1.00 61.45 C ATOM 894 CG ASN X 53 -9.267 5.939 8.404 1.00 61.14 C ATOM 895 OD1 ASN X 53 -9.026 5.900 9.687 1.00 45.05 O flip ATOM 896 ND2 ASN X 53 -8.362 6.164 7.621 1.00 51.40 N flip ATOM 0 H ASN X 53 -12.706 4.876 6.635 1.00 60.42 H new ATOM 0 HA ASN X 53 -9.863 4.517 6.284 1.00 61.31 H new ATOM 0 HB2 ASN X 53 -11.055 6.526 7.331 1.00 61.45 H new ATOM 0 HB3 ASN X 53 -11.367 5.529 8.739 1.00 61.45 H new ATOM 0 HD21 ASN X 53 -8.550 6.194 6.619 1.00 51.40 H new ATOM 0 HD22 ASN X 53 -7.416 6.322 7.967 1.00 51.40 H new ATOM 903 N ASP X 54 -9.220 2.659 7.844 1.00 24.32 N ATOM 904 CA ASP X 54 -8.914 1.463 8.668 1.00 12.14 C ATOM 905 C ASP X 54 -7.439 1.482 9.079 1.00 12.35 C ATOM 906 O ASP X 54 -6.612 0.803 8.496 1.00 43.33 O ATOM 907 CB ASP X 54 -9.201 0.204 7.853 1.00 21.32 C ATOM 908 CG ASP X 54 -9.252 -1.009 8.779 1.00 1.13 C ATOM 909 OD1 ASP X 54 -8.409 -1.104 9.652 1.00 5.43 O ATOM 910 OD2 ASP X 54 -10.142 -1.826 8.600 1.00 32.35 O ATOM 0 H ASP X 54 -8.452 2.997 7.265 1.00 24.32 H new ATOM 0 HA ASP X 54 -9.535 1.470 9.564 1.00 12.14 H new ATOM 0 HB2 ASP X 54 -10.148 0.310 7.324 1.00 21.32 H new ATOM 0 HB3 ASP X 54 -8.428 0.064 7.097 1.00 21.32 H new ATOM 915 N PRO X 55 -7.123 2.236 10.099 1.00 21.03 N ATOM 916 CA PRO X 55 -5.728 2.352 10.619 1.00 21.34 C ATOM 917 C PRO X 55 -5.177 0.972 10.986 1.00 33.41 C ATOM 918 O PRO X 55 -4.201 0.507 10.427 1.00 61.14 O ATOM 919 CB PRO X 55 -5.876 3.227 11.873 1.00 62.42 C ATOM 920 CG PRO X 55 -7.166 3.953 11.690 1.00 42.13 C ATOM 921 CD PRO X 55 -8.054 3.030 10.864 1.00 2.25 C ATOM 0 HA PRO X 55 -5.037 2.774 9.889 1.00 21.34 H new ATOM 0 HB2 PRO X 55 -5.890 2.620 12.778 1.00 62.42 H new ATOM 0 HB3 PRO X 55 -5.042 3.923 11.969 1.00 62.42 H new ATOM 0 HG2 PRO X 55 -7.626 4.179 12.652 1.00 42.13 H new ATOM 0 HG3 PRO X 55 -7.010 4.904 11.180 1.00 42.13 H new ATOM 0 HD2 PRO X 55 -8.681 2.406 11.501 1.00 2.25 H new ATOM 0 HD3 PRO X 55 -8.722 3.596 10.215 1.00 2.25 H new ATOM 929 N GLU X 56 -5.809 0.307 11.913 1.00 63.51 N ATOM 930 CA GLU X 56 -5.351 -1.053 12.295 1.00 3.53 C ATOM 931 C GLU X 56 -4.641 -1.685 11.096 1.00 54.40 C ATOM 932 O GLU X 56 -3.453 -1.949 11.129 1.00 23.54 O ATOM 933 CB GLU X 56 -6.567 -1.902 12.675 1.00 51.32 C ATOM 934 CG GLU X 56 -7.232 -1.311 13.923 1.00 74.14 C ATOM 935 CD GLU X 56 -8.141 -0.145 13.517 1.00 65.41 C ATOM 936 OE1 GLU X 56 -8.143 0.200 12.348 1.00 33.24 O ATOM 937 OE2 GLU X 56 -8.823 0.378 14.383 1.00 42.24 O ATOM 0 H GLU X 56 -6.624 0.649 12.422 1.00 63.51 H new ATOM 0 HA GLU X 56 -4.668 -0.998 13.143 1.00 3.53 H new ATOM 0 HB2 GLU X 56 -7.278 -1.929 11.849 1.00 51.32 H new ATOM 0 HB3 GLU X 56 -6.261 -2.931 12.865 1.00 51.32 H new ATOM 0 HG2 GLU X 56 -7.813 -2.078 14.435 1.00 74.14 H new ATOM 0 HG3 GLU X 56 -6.472 -0.966 14.624 1.00 74.14 H new ATOM 944 N ARG X 57 -5.360 -1.912 10.033 1.00 42.50 N ATOM 945 CA ARG X 57 -4.742 -2.527 8.819 1.00 23.52 C ATOM 946 C ARG X 57 -3.505 -1.719 8.432 1.00 42.32 C ATOM 947 O ARG X 57 -2.451 -2.263 8.170 1.00 23.12 O ATOM 948 CB ARG X 57 -5.760 -2.500 7.673 1.00 61.41 C ATOM 949 CG ARG X 57 -5.073 -2.775 6.330 1.00 31.52 C ATOM 950 CD ARG X 57 -4.416 -4.147 6.349 1.00 25.44 C ATOM 951 NE ARG X 57 -3.936 -4.495 4.974 1.00 35.13 N ATOM 952 CZ ARG X 57 -3.093 -5.486 4.809 1.00 34.15 C ATOM 953 NH1 ARG X 57 -2.582 -6.093 5.848 1.00 23.23 N ATOM 954 NH2 ARG X 57 -2.740 -5.860 3.607 1.00 33.11 N ATOM 0 H ARG X 57 -6.354 -1.698 9.950 1.00 42.50 H new ATOM 0 HA ARG X 57 -4.454 -3.558 9.022 1.00 23.52 H new ATOM 0 HB2 ARG X 57 -6.534 -3.246 7.850 1.00 61.41 H new ATOM 0 HB3 ARG X 57 -6.254 -1.529 7.642 1.00 61.41 H new ATOM 0 HG2 ARG X 57 -5.803 -2.724 5.522 1.00 31.52 H new ATOM 0 HG3 ARG X 57 -4.325 -2.008 6.132 1.00 31.52 H new ATOM 0 HD2 ARG X 57 -3.580 -4.151 7.048 1.00 25.44 H new ATOM 0 HD3 ARG X 57 -5.127 -4.897 6.697 1.00 25.44 H new ATOM 0 HE ARG X 57 -4.264 -3.963 4.168 1.00 35.13 H new ATOM 0 HH11 ARG X 57 -2.839 -5.796 6.789 1.00 23.23 H new ATOM 0 HH12 ARG X 57 -1.927 -6.864 5.717 1.00 23.23 H new ATOM 0 HH21 ARG X 57 -3.121 -5.380 2.791 1.00 33.11 H new ATOM 0 HH22 ARG X 57 -2.084 -6.631 3.485 1.00 33.11 H new ATOM 968 N GLU X 58 -3.625 -0.418 8.408 1.00 10.34 N ATOM 969 CA GLU X 58 -2.461 0.435 8.039 1.00 43.15 C ATOM 970 C GLU X 58 -1.369 0.271 9.103 1.00 1.52 C ATOM 971 O GLU X 58 -0.193 0.231 8.799 1.00 40.32 O ATOM 972 CB GLU X 58 -2.905 1.900 7.971 1.00 11.53 C ATOM 973 CG GLU X 58 -4.014 2.053 6.923 1.00 4.04 C ATOM 974 CD GLU X 58 -4.584 3.471 6.984 1.00 53.24 C ATOM 975 OE1 GLU X 58 -4.022 4.283 7.696 1.00 11.33 O ATOM 976 OE2 GLU X 58 -5.575 3.720 6.316 1.00 11.11 O ATOM 0 H GLU X 58 -4.481 0.090 8.629 1.00 10.34 H new ATOM 0 HA GLU X 58 -2.072 0.135 7.066 1.00 43.15 H new ATOM 0 HB2 GLU X 58 -3.265 2.227 8.946 1.00 11.53 H new ATOM 0 HB3 GLU X 58 -2.058 2.536 7.714 1.00 11.53 H new ATOM 0 HG2 GLU X 58 -3.618 1.852 5.928 1.00 4.04 H new ATOM 0 HG3 GLU X 58 -4.804 1.324 7.105 1.00 4.04 H new ATOM 983 N LYS X 59 -1.752 0.161 10.351 1.00 31.41 N ATOM 984 CA LYS X 59 -0.739 -0.019 11.432 1.00 23.11 C ATOM 985 C LYS X 59 0.007 -1.335 11.187 1.00 32.34 C ATOM 986 O LYS X 59 1.207 -1.426 11.353 1.00 74.50 O ATOM 987 CB LYS X 59 -1.448 -0.074 12.796 1.00 70.02 C ATOM 988 CG LYS X 59 -2.023 1.306 13.147 1.00 55.05 C ATOM 989 CD LYS X 59 -0.928 2.182 13.762 1.00 62.22 C ATOM 990 CE LYS X 59 -1.323 3.657 13.643 1.00 50.01 C ATOM 991 NZ LYS X 59 -1.039 4.141 12.261 1.00 3.40 N ATOM 0 H LYS X 59 -2.722 0.188 10.666 1.00 31.41 H new ATOM 0 HA LYS X 59 -0.036 0.814 11.429 1.00 23.11 H new ATOM 0 HB2 LYS X 59 -2.248 -0.814 12.769 1.00 70.02 H new ATOM 0 HB3 LYS X 59 -0.746 -0.391 13.567 1.00 70.02 H new ATOM 0 HG2 LYS X 59 -2.423 1.782 12.252 1.00 55.05 H new ATOM 0 HG3 LYS X 59 -2.851 1.198 13.847 1.00 55.05 H new ATOM 0 HD2 LYS X 59 -0.782 1.918 14.809 1.00 62.22 H new ATOM 0 HD3 LYS X 59 0.020 2.007 13.254 1.00 62.22 H new ATOM 0 HE2 LYS X 59 -2.382 3.780 13.872 1.00 50.01 H new ATOM 0 HE3 LYS X 59 -0.769 4.252 14.369 1.00 50.01 H new ATOM 0 HZ1 LYS X 59 -1.129 5.177 12.230 1.00 3.40 H new ATOM 0 HZ2 LYS X 59 -0.072 3.870 11.990 1.00 3.40 H new ATOM 0 HZ3 LYS X 59 -1.717 3.715 11.598 1.00 3.40 H new ATOM 1005 N TYR X 60 -0.711 -2.355 10.784 1.00 42.01 N ATOM 1006 CA TYR X 60 -0.072 -3.675 10.509 1.00 51.15 C ATOM 1007 C TYR X 60 1.034 -3.489 9.465 1.00 2.02 C ATOM 1008 O TYR X 60 2.094 -4.074 9.554 1.00 64.33 O ATOM 1009 CB TYR X 60 -1.139 -4.644 9.982 1.00 13.51 C ATOM 1010 CG TYR X 60 -0.506 -5.954 9.572 1.00 65.44 C ATOM 1011 CD1 TYR X 60 -0.283 -6.954 10.527 1.00 34.21 C ATOM 1012 CD2 TYR X 60 -0.125 -6.162 8.240 1.00 14.42 C ATOM 1013 CE1 TYR X 60 0.315 -8.163 10.148 1.00 73.12 C ATOM 1014 CE2 TYR X 60 0.475 -7.370 7.863 1.00 20.13 C ATOM 1015 CZ TYR X 60 0.694 -8.371 8.816 1.00 21.11 C ATOM 1016 OH TYR X 60 1.285 -9.563 8.444 1.00 20.33 O ATOM 0 H TYR X 60 -1.719 -2.327 10.633 1.00 42.01 H new ATOM 0 HA TYR X 60 0.364 -4.082 11.421 1.00 51.15 H new ATOM 0 HB2 TYR X 60 -1.890 -4.821 10.752 1.00 13.51 H new ATOM 0 HB3 TYR X 60 -1.654 -4.200 9.130 1.00 13.51 H new ATOM 0 HD1 TYR X 60 -0.572 -6.793 11.555 1.00 34.21 H new ATOM 0 HD2 TYR X 60 -0.294 -5.390 7.503 1.00 14.42 H new ATOM 0 HE1 TYR X 60 0.484 -8.935 10.884 1.00 73.12 H new ATOM 0 HE2 TYR X 60 0.769 -7.529 6.836 1.00 20.13 H new ATOM 0 HH TYR X 60 1.484 -9.544 7.485 1.00 20.33 H new ATOM 1026 N ILE X 61 0.791 -2.662 8.479 1.00 15.44 N ATOM 1027 CA ILE X 61 1.820 -2.425 7.422 1.00 42.41 C ATOM 1028 C ILE X 61 3.069 -1.806 8.065 1.00 21.11 C ATOM 1029 O ILE X 61 4.186 -2.173 7.754 1.00 23.35 O ATOM 1030 CB ILE X 61 1.264 -1.452 6.379 1.00 73.44 C ATOM 1031 CG1 ILE X 61 0.185 -2.145 5.534 1.00 2.41 C ATOM 1032 CG2 ILE X 61 2.399 -0.973 5.477 1.00 0.51 C ATOM 1033 CD1 ILE X 61 0.836 -2.959 4.413 1.00 15.23 C ATOM 0 H ILE X 61 -0.077 -2.140 8.361 1.00 15.44 H new ATOM 0 HA ILE X 61 2.076 -3.371 6.944 1.00 42.41 H new ATOM 0 HB ILE X 61 0.817 -0.597 6.887 1.00 73.44 H new ATOM 0 HG12 ILE X 61 -0.418 -2.798 6.165 1.00 2.41 H new ATOM 0 HG13 ILE X 61 -0.489 -1.401 5.109 1.00 2.41 H new ATOM 0 HG21 ILE X 61 2.005 -0.280 4.734 1.00 0.51 H new ATOM 0 HG22 ILE X 61 3.154 -0.468 6.079 1.00 0.51 H new ATOM 0 HG23 ILE X 61 2.849 -1.828 4.973 1.00 0.51 H new ATOM 0 HD11 ILE X 61 0.062 -3.446 3.820 1.00 15.23 H new ATOM 0 HD12 ILE X 61 1.419 -2.296 3.774 1.00 15.23 H new ATOM 0 HD13 ILE X 61 1.491 -3.715 4.846 1.00 15.23 H new ATOM 1045 N TYR X 62 2.884 -0.870 8.960 1.00 12.33 N ATOM 1046 CA TYR X 62 4.053 -0.217 9.618 1.00 32.53 C ATOM 1047 C TYR X 62 4.966 -1.302 10.201 1.00 31.32 C ATOM 1048 O TYR X 62 6.172 -1.269 10.041 1.00 63.12 O ATOM 1049 CB TYR X 62 3.559 0.708 10.743 1.00 13.11 C ATOM 1050 CG TYR X 62 3.175 2.055 10.168 1.00 61.33 C ATOM 1051 CD1 TYR X 62 2.289 2.133 9.082 1.00 44.50 C ATOM 1052 CD2 TYR X 62 3.695 3.230 10.727 1.00 75.34 C ATOM 1053 CE1 TYR X 62 1.929 3.382 8.560 1.00 2.24 C ATOM 1054 CE2 TYR X 62 3.335 4.478 10.203 1.00 22.40 C ATOM 1055 CZ TYR X 62 2.453 4.556 9.121 1.00 0.03 C ATOM 1056 OH TYR X 62 2.097 5.787 8.608 1.00 34.21 O ATOM 0 H TYR X 62 1.972 -0.530 9.263 1.00 12.33 H new ATOM 0 HA TYR X 62 4.607 0.374 8.889 1.00 32.53 H new ATOM 0 HB2 TYR X 62 2.702 0.259 11.245 1.00 13.11 H new ATOM 0 HB3 TYR X 62 4.340 0.832 11.494 1.00 13.11 H new ATOM 0 HD1 TYR X 62 1.885 1.230 8.649 1.00 44.50 H new ATOM 0 HD2 TYR X 62 4.375 3.173 11.564 1.00 75.34 H new ATOM 0 HE1 TYR X 62 1.247 3.441 7.725 1.00 2.24 H new ATOM 0 HE2 TYR X 62 3.739 5.381 10.635 1.00 22.40 H new ATOM 0 HH TYR X 62 1.150 5.958 8.795 1.00 34.21 H new ATOM 1066 N ASP X 63 4.395 -2.263 10.874 1.00 1.25 N ATOM 1067 CA ASP X 63 5.210 -3.363 11.462 1.00 21.15 C ATOM 1068 C ASP X 63 5.753 -4.248 10.336 1.00 72.11 C ATOM 1069 O ASP X 63 6.838 -4.792 10.428 1.00 13.14 O ATOM 1070 CB ASP X 63 4.322 -4.195 12.396 1.00 3.44 C ATOM 1071 CG ASP X 63 5.193 -5.102 13.269 1.00 15.21 C ATOM 1072 OD1 ASP X 63 5.967 -4.581 14.051 1.00 24.11 O ATOM 1073 OD2 ASP X 63 5.063 -6.310 13.140 1.00 33.55 O ATOM 0 H ASP X 63 3.392 -2.334 11.043 1.00 1.25 H new ATOM 0 HA ASP X 63 6.046 -2.949 12.026 1.00 21.15 H new ATOM 0 HB2 ASP X 63 3.723 -3.537 13.025 1.00 3.44 H new ATOM 0 HB3 ASP X 63 3.627 -4.797 11.811 1.00 3.44 H new ATOM 1078 N ARG X 64 5.000 -4.394 9.269 1.00 42.41 N ATOM 1079 CA ARG X 64 5.447 -5.257 8.129 1.00 71.21 C ATOM 1080 C ARG X 64 6.649 -4.606 7.437 1.00 62.30 C ATOM 1081 O ARG X 64 7.652 -5.244 7.180 1.00 72.05 O ATOM 1082 CB ARG X 64 4.292 -5.412 7.117 1.00 20.55 C ATOM 1083 CG ARG X 64 4.669 -6.455 6.050 1.00 10.10 C ATOM 1084 CD ARG X 64 3.719 -6.335 4.847 1.00 10.04 C ATOM 1085 NE ARG X 64 2.288 -6.381 5.331 1.00 70.41 N ATOM 1086 CZ ARG X 64 1.308 -6.111 4.539 1.00 4.21 C ATOM 1087 NH1 ARG X 64 1.571 -5.877 3.308 1.00 44.51 N ATOM 1088 NH2 ARG X 64 0.066 -6.095 4.982 1.00 22.00 N ATOM 0 H ARG X 64 4.091 -3.950 9.140 1.00 42.41 H new ATOM 0 HA ARG X 64 5.733 -6.239 8.507 1.00 71.21 H new ATOM 0 HB2 ARG X 64 3.383 -5.719 7.634 1.00 20.55 H new ATOM 0 HB3 ARG X 64 4.081 -4.453 6.643 1.00 20.55 H new ATOM 0 HG2 ARG X 64 5.699 -6.304 5.728 1.00 10.10 H new ATOM 0 HG3 ARG X 64 4.611 -7.458 6.472 1.00 10.10 H new ATOM 0 HD2 ARG X 64 3.905 -5.402 4.315 1.00 10.04 H new ATOM 0 HD3 ARG X 64 3.902 -7.146 4.142 1.00 10.04 H new ATOM 0 HE ARG X 64 2.095 -6.630 6.301 1.00 70.41 H new ATOM 0 HH11 ARG X 64 2.536 -5.907 2.978 1.00 44.51 H new ATOM 0 HH12 ARG X 64 0.816 -5.660 2.657 1.00 44.51 H new ATOM 0 HH21 ARG X 64 -0.128 -6.298 5.963 1.00 22.00 H new ATOM 0 HH22 ARG X 64 -0.700 -5.880 4.344 1.00 22.00 H new ATOM 1102 N ILE X 65 6.551 -3.340 7.133 1.00 3.24 N ATOM 1103 CA ILE X 65 7.676 -2.647 6.437 1.00 11.14 C ATOM 1104 C ILE X 65 8.927 -2.648 7.330 1.00 50.21 C ATOM 1105 O ILE X 65 10.023 -2.901 6.871 1.00 52.03 O ATOM 1106 CB ILE X 65 7.280 -1.197 6.133 1.00 24.12 C ATOM 1107 CG1 ILE X 65 6.108 -1.161 5.140 1.00 43.33 C ATOM 1108 CG2 ILE X 65 8.476 -0.455 5.537 1.00 0.41 C ATOM 1109 CD1 ILE X 65 6.479 -1.901 3.852 1.00 75.14 C ATOM 0 H ILE X 65 5.741 -2.755 7.336 1.00 3.24 H new ATOM 0 HA ILE X 65 7.892 -3.174 5.507 1.00 11.14 H new ATOM 0 HB ILE X 65 6.972 -0.714 7.060 1.00 24.12 H new ATOM 0 HG12 ILE X 65 5.227 -1.619 5.590 1.00 43.33 H new ATOM 0 HG13 ILE X 65 5.848 -0.127 4.911 1.00 43.33 H new ATOM 0 HG21 ILE X 65 8.194 0.576 5.321 1.00 0.41 H new ATOM 0 HG22 ILE X 65 9.301 -0.464 6.249 1.00 0.41 H new ATOM 0 HG23 ILE X 65 8.787 -0.947 4.615 1.00 0.41 H new ATOM 0 HD11 ILE X 65 5.639 -1.867 3.158 1.00 75.14 H new ATOM 0 HD12 ILE X 65 7.346 -1.424 3.395 1.00 75.14 H new ATOM 0 HD13 ILE X 65 6.716 -2.939 4.084 1.00 75.14 H new ATOM 1121 N ARG X 66 8.770 -2.359 8.598 1.00 53.23 N ATOM 1122 CA ARG X 66 9.952 -2.327 9.513 1.00 11.54 C ATOM 1123 C ARG X 66 10.699 -3.667 9.444 1.00 3.41 C ATOM 1124 O ARG X 66 11.913 -3.720 9.513 1.00 51.11 O ATOM 1125 CB ARG X 66 9.492 -2.088 10.962 1.00 73.53 C ATOM 1126 CG ARG X 66 9.085 -0.623 11.163 1.00 51.42 C ATOM 1127 CD ARG X 66 8.627 -0.416 12.609 1.00 62.11 C ATOM 1128 NE ARG X 66 7.270 -1.054 12.821 1.00 53.32 N ATOM 1129 CZ ARG X 66 6.750 -1.163 13.993 1.00 21.12 C ATOM 1130 NH1 ARG X 66 7.354 -0.639 14.999 1.00 55.34 N ATOM 1131 NH2 ARG X 66 5.598 -1.780 14.158 1.00 13.23 N ATOM 0 H ARG X 66 7.875 -2.144 9.038 1.00 53.23 H new ATOM 0 HA ARG X 66 10.613 -1.518 9.201 1.00 11.54 H new ATOM 0 HB2 ARG X 66 8.650 -2.740 11.195 1.00 73.53 H new ATOM 0 HB3 ARG X 66 10.295 -2.346 11.652 1.00 73.53 H new ATOM 0 HG2 ARG X 66 9.926 0.033 10.939 1.00 51.42 H new ATOM 0 HG3 ARG X 66 8.282 -0.359 10.474 1.00 51.42 H new ATOM 0 HD2 ARG X 66 9.354 -0.852 13.295 1.00 62.11 H new ATOM 0 HD3 ARG X 66 8.576 0.649 12.834 1.00 62.11 H new ATOM 0 HE ARG X 66 6.755 -1.406 12.014 1.00 53.32 H new ATOM 0 HH11 ARG X 66 8.235 -0.144 14.863 1.00 55.34 H new ATOM 0 HH12 ARG X 66 6.952 -0.718 15.933 1.00 55.34 H new ATOM 0 HH21 ARG X 66 5.112 -2.176 13.353 1.00 13.23 H new ATOM 0 HH22 ARG X 66 5.192 -1.862 15.090 1.00 13.23 H new ATOM 1145 N LYS X 67 9.982 -4.753 9.313 1.00 23.21 N ATOM 1146 CA LYS X 67 10.643 -6.094 9.232 1.00 24.41 C ATOM 1147 C LYS X 67 11.480 -6.179 7.950 1.00 70.53 C ATOM 1148 O LYS X 67 12.688 -6.300 7.997 1.00 45.21 O ATOM 1149 CB LYS X 67 9.566 -7.189 9.231 1.00 33.51 C ATOM 1150 CG LYS X 67 8.907 -7.291 10.613 1.00 70.43 C ATOM 1151 CD LYS X 67 7.746 -8.293 10.555 1.00 74.23 C ATOM 1152 CE LYS X 67 8.289 -9.726 10.607 1.00 53.22 C ATOM 1153 NZ LYS X 67 7.162 -10.682 10.818 1.00 44.15 N ATOM 0 H LYS X 67 8.964 -4.771 9.258 1.00 23.21 H new ATOM 0 HA LYS X 67 11.299 -6.234 10.092 1.00 24.41 H new ATOM 0 HB2 LYS X 67 8.812 -6.965 8.477 1.00 33.51 H new ATOM 0 HB3 LYS X 67 10.012 -8.147 8.962 1.00 33.51 H new ATOM 0 HG2 LYS X 67 9.640 -7.610 11.354 1.00 70.43 H new ATOM 0 HG3 LYS X 67 8.542 -6.313 10.926 1.00 70.43 H new ATOM 0 HD2 LYS X 67 7.065 -8.122 11.389 1.00 74.23 H new ATOM 0 HD3 LYS X 67 7.172 -8.145 9.640 1.00 74.23 H new ATOM 0 HE2 LYS X 67 8.810 -9.962 9.679 1.00 53.22 H new ATOM 0 HE3 LYS X 67 9.016 -9.821 11.414 1.00 53.22 H new ATOM 0 HZ1 LYS X 67 7.532 -11.653 10.853 1.00 44.15 H new ATOM 0 HZ2 LYS X 67 6.683 -10.462 11.714 1.00 44.15 H new ATOM 0 HZ3 LYS X 67 6.484 -10.598 10.034 1.00 44.15 H new ATOM 1167 N LEU X 68 10.852 -6.107 6.806 1.00 31.43 N ATOM 1168 CA LEU X 68 11.620 -6.175 5.527 1.00 72.03 C ATOM 1169 C LEU X 68 12.547 -4.959 5.435 1.00 42.20 C ATOM 1170 O LEU X 68 13.696 -5.065 5.052 1.00 42.12 O ATOM 1171 CB LEU X 68 10.657 -6.147 4.337 1.00 20.21 C ATOM 1172 CG LEU X 68 9.804 -7.419 4.298 1.00 64.23 C ATOM 1173 CD1 LEU X 68 8.811 -7.314 3.137 1.00 74.35 C ATOM 1174 CD2 LEU X 68 10.697 -8.644 4.082 1.00 40.12 C ATOM 0 H LEU X 68 9.843 -6.004 6.701 1.00 31.43 H new ATOM 0 HA LEU X 68 12.199 -7.098 5.506 1.00 72.03 H new ATOM 0 HB2 LEU X 68 10.011 -5.272 4.407 1.00 20.21 H new ATOM 0 HB3 LEU X 68 11.221 -6.053 3.409 1.00 20.21 H new ATOM 0 HG LEU X 68 9.272 -7.526 5.243 1.00 64.23 H new ATOM 0 HD11 LEU X 68 8.198 -8.215 3.100 1.00 74.35 H new ATOM 0 HD12 LEU X 68 8.170 -6.445 3.284 1.00 74.35 H new ATOM 0 HD13 LEU X 68 9.357 -7.208 2.200 1.00 74.35 H new ATOM 0 HD21 LEU X 68 10.081 -9.543 4.056 1.00 40.12 H new ATOM 0 HD22 LEU X 68 11.232 -8.543 3.137 1.00 40.12 H new ATOM 0 HD23 LEU X 68 11.415 -8.720 4.899 1.00 40.12 H new ATOM 1186 N CYS X 69 12.049 -3.799 5.776 1.00 1.33 N ATOM 1187 CA CYS X 69 12.893 -2.569 5.713 1.00 64.55 C ATOM 1188 C CYS X 69 14.111 -2.731 6.623 1.00 14.44 C ATOM 1189 O CYS X 69 15.099 -2.036 6.486 1.00 34.45 O ATOM 1190 CB CYS X 69 12.068 -1.364 6.172 1.00 2.02 C ATOM 1191 SG CYS X 69 13.026 0.153 5.924 1.00 62.31 S ATOM 0 H CYS X 69 11.092 -3.650 6.096 1.00 1.33 H new ATOM 0 HA CYS X 69 13.229 -2.413 4.688 1.00 64.55 H new ATOM 0 HB2 CYS X 69 11.135 -1.313 5.611 1.00 2.02 H new ATOM 0 HB3 CYS X 69 11.802 -1.471 7.224 1.00 2.02 H new ATOM 0 HG CYS X 69 14.214 0.004 6.431 1.00 62.31 H new ATOM 1197 N LYS X 70 14.050 -3.646 7.551 1.00 70.53 N ATOM 1198 CA LYS X 70 15.205 -3.863 8.465 1.00 4.10 C ATOM 1199 C LYS X 70 16.072 -5.006 7.925 1.00 62.34 C ATOM 1200 O LYS X 70 17.276 -5.018 8.088 1.00 74.54 O ATOM 1201 CB LYS X 70 14.696 -4.243 9.858 1.00 65.10 C ATOM 1202 CG LYS X 70 15.826 -4.874 10.684 1.00 11.24 C ATOM 1203 CD LYS X 70 15.760 -6.400 10.579 1.00 42.51 C ATOM 1204 CE LYS X 70 16.669 -7.024 11.643 1.00 24.42 C ATOM 1205 NZ LYS X 70 18.078 -6.598 11.407 1.00 61.00 N ATOM 0 H LYS X 70 13.248 -4.254 7.715 1.00 70.53 H new ATOM 0 HA LYS X 70 15.792 -2.946 8.526 1.00 4.10 H new ATOM 0 HB2 LYS X 70 14.315 -3.358 10.367 1.00 65.10 H new ATOM 0 HB3 LYS X 70 13.865 -4.943 9.771 1.00 65.10 H new ATOM 0 HG2 LYS X 70 16.792 -4.518 10.326 1.00 11.24 H new ATOM 0 HG3 LYS X 70 15.740 -4.569 11.727 1.00 11.24 H new ATOM 0 HD2 LYS X 70 14.734 -6.741 10.717 1.00 42.51 H new ATOM 0 HD3 LYS X 70 16.072 -6.721 9.585 1.00 42.51 H new ATOM 0 HE2 LYS X 70 16.347 -6.716 12.638 1.00 24.42 H new ATOM 0 HE3 LYS X 70 16.596 -8.111 11.607 1.00 24.42 H new ATOM 0 HZ1 LYS X 70 18.720 -7.195 11.967 1.00 61.00 H new ATOM 0 HZ2 LYS X 70 18.306 -6.697 10.397 1.00 61.00 H new ATOM 0 HZ3 LYS X 70 18.193 -5.604 11.692 1.00 61.00 H new ATOM 1219 N GLU X 71 15.462 -5.974 7.293 1.00 24.24 N ATOM 1220 CA GLU X 71 16.238 -7.135 6.759 1.00 14.11 C ATOM 1221 C GLU X 71 17.150 -6.689 5.610 1.00 54.03 C ATOM 1222 O GLU X 71 18.291 -7.098 5.519 1.00 1.11 O ATOM 1223 CB GLU X 71 15.273 -8.199 6.233 1.00 61.12 C ATOM 1224 CG GLU X 71 14.561 -8.880 7.400 1.00 64.43 C ATOM 1225 CD GLU X 71 15.568 -9.703 8.207 1.00 22.04 C ATOM 1226 OE1 GLU X 71 16.601 -10.045 7.656 1.00 50.20 O ATOM 1227 OE2 GLU X 71 15.286 -9.978 9.360 1.00 55.33 O ATOM 0 H GLU X 71 14.457 -6.012 7.123 1.00 24.24 H new ATOM 0 HA GLU X 71 16.847 -7.543 7.566 1.00 14.11 H new ATOM 0 HB2 GLU X 71 14.542 -7.741 5.567 1.00 61.12 H new ATOM 0 HB3 GLU X 71 15.818 -8.939 5.647 1.00 61.12 H new ATOM 0 HG2 GLU X 71 14.092 -8.132 8.039 1.00 64.43 H new ATOM 0 HG3 GLU X 71 13.765 -9.525 7.027 1.00 64.43 H new ATOM 1234 N HIS X 72 16.652 -5.872 4.720 1.00 34.31 N ATOM 1235 CA HIS X 72 17.486 -5.435 3.564 1.00 40.10 C ATOM 1236 C HIS X 72 18.374 -4.255 3.980 1.00 21.44 C ATOM 1237 O HIS X 72 19.032 -3.645 3.160 1.00 41.44 O ATOM 1238 CB HIS X 72 16.570 -5.013 2.412 1.00 73.40 C ATOM 1239 CG HIS X 72 15.570 -6.104 2.130 1.00 41.11 C ATOM 1240 ND1 HIS X 72 15.944 -7.339 1.619 1.00 23.33 N ATOM 1241 CD2 HIS X 72 14.206 -6.162 2.290 1.00 42.33 C ATOM 1242 CE1 HIS X 72 14.827 -8.080 1.489 1.00 1.21 C ATOM 1243 NE2 HIS X 72 13.745 -7.409 1.885 1.00 35.23 N ATOM 0 H HIS X 72 15.707 -5.490 4.744 1.00 34.31 H new ATOM 0 HA HIS X 72 18.121 -6.260 3.241 1.00 40.10 H new ATOM 0 HB2 HIS X 72 16.052 -4.089 2.667 1.00 73.40 H new ATOM 0 HB3 HIS X 72 17.162 -4.810 1.520 1.00 73.40 H new ATOM 0 HD1 HIS X 72 16.892 -7.632 1.385 1.00 23.33 H new ATOM 0 HD2 HIS X 72 13.588 -5.362 2.671 1.00 42.33 H new ATOM 0 HE1 HIS X 72 14.810 -9.092 1.111 1.00 1.21 H new ATOM 1252 N ASN X 73 18.399 -3.935 5.243 1.00 62.51 N ATOM 1253 CA ASN X 73 19.249 -2.802 5.720 1.00 40.03 C ATOM 1254 C ASN X 73 19.154 -1.633 4.741 1.00 50.53 C ATOM 1255 O ASN X 73 20.056 -0.825 4.641 1.00 20.41 O ATOM 1256 CB ASN X 73 20.705 -3.267 5.814 1.00 32.24 C ATOM 1257 CG ASN X 73 21.510 -2.219 6.589 1.00 52.32 C ATOM 1258 OD1 ASN X 73 20.969 -1.482 7.389 1.00 43.45 O ATOM 1259 ND2 ASN X 73 22.795 -2.108 6.371 1.00 2.51 N ATOM 0 H ASN X 73 17.866 -4.410 5.971 1.00 62.51 H new ATOM 0 HA ASN X 73 18.900 -2.478 6.701 1.00 40.03 H new ATOM 0 HB2 ASN X 73 20.761 -4.233 6.316 1.00 32.24 H new ATOM 0 HB3 ASN X 73 21.123 -3.402 4.816 1.00 32.24 H new ATOM 0 HD21 ASN X 73 23.338 -1.405 6.872 1.00 2.51 H new ATOM 0 HD22 ASN X 73 23.254 -2.725 5.700 1.00 2.51 H new ATOM 1266 N VAL X 74 18.076 -1.529 4.019 1.00 63.43 N ATOM 1267 CA VAL X 74 17.945 -0.407 3.050 1.00 33.33 C ATOM 1268 C VAL X 74 17.793 0.911 3.818 1.00 70.51 C ATOM 1269 O VAL X 74 18.493 1.871 3.568 1.00 55.11 O ATOM 1270 CB VAL X 74 16.717 -0.638 2.169 1.00 14.40 C ATOM 1271 CG1 VAL X 74 16.400 0.632 1.380 1.00 64.23 C ATOM 1272 CG2 VAL X 74 16.995 -1.786 1.197 1.00 4.12 C ATOM 0 H VAL X 74 17.283 -2.169 4.057 1.00 63.43 H new ATOM 0 HA VAL X 74 18.834 -0.358 2.421 1.00 33.33 H new ATOM 0 HB VAL X 74 15.865 -0.892 2.800 1.00 14.40 H new ATOM 0 HG11 VAL X 74 15.524 0.462 0.754 1.00 64.23 H new ATOM 0 HG12 VAL X 74 16.198 1.450 2.072 1.00 64.23 H new ATOM 0 HG13 VAL X 74 17.251 0.891 0.751 1.00 64.23 H new ATOM 0 HG21 VAL X 74 16.120 -1.951 0.569 1.00 4.12 H new ATOM 0 HG22 VAL X 74 17.849 -1.533 0.569 1.00 4.12 H new ATOM 0 HG23 VAL X 74 17.214 -2.694 1.759 1.00 4.12 H new ATOM 1282 N ASP X 75 16.889 0.957 4.761 1.00 3.11 N ATOM 1283 CA ASP X 75 16.683 2.215 5.538 1.00 25.14 C ATOM 1284 C ASP X 75 15.820 1.934 6.772 1.00 1.24 C ATOM 1285 O ASP X 75 15.589 0.797 7.137 1.00 61.21 O ATOM 1286 CB ASP X 75 15.994 3.258 4.657 1.00 42.25 C ATOM 1287 CG ASP X 75 17.022 3.914 3.730 1.00 44.35 C ATOM 1288 OD1 ASP X 75 18.120 4.183 4.192 1.00 0.10 O ATOM 1289 OD2 ASP X 75 16.695 4.138 2.578 1.00 62.30 O ATOM 0 H ASP X 75 16.285 0.179 5.027 1.00 3.11 H new ATOM 0 HA ASP X 75 17.652 2.596 5.860 1.00 25.14 H new ATOM 0 HB2 ASP X 75 15.207 2.787 4.068 1.00 42.25 H new ATOM 0 HB3 ASP X 75 15.516 4.015 5.279 1.00 42.25 H new ATOM 1294 N GLU X 76 15.346 2.967 7.421 1.00 41.45 N ATOM 1295 CA GLU X 76 14.488 2.766 8.626 1.00 23.33 C ATOM 1296 C GLU X 76 13.350 3.794 8.640 1.00 42.04 C ATOM 1297 O GLU X 76 12.312 3.597 8.040 1.00 14.43 O ATOM 1298 CB GLU X 76 15.335 2.939 9.891 1.00 54.01 C ATOM 1299 CG GLU X 76 14.486 2.623 11.123 1.00 62.45 C ATOM 1300 CD GLU X 76 14.172 1.124 11.157 1.00 52.23 C ATOM 1301 OE1 GLU X 76 14.747 0.399 10.361 1.00 25.52 O ATOM 1302 OE2 GLU X 76 13.366 0.726 11.980 1.00 11.55 O ATOM 0 H GLU X 76 15.516 3.940 7.168 1.00 41.45 H new ATOM 0 HA GLU X 76 14.066 1.761 8.596 1.00 23.33 H new ATOM 0 HB2 GLU X 76 16.201 2.278 9.854 1.00 54.01 H new ATOM 0 HB3 GLU X 76 15.715 3.959 9.950 1.00 54.01 H new ATOM 0 HG2 GLU X 76 15.018 2.914 12.029 1.00 62.45 H new ATOM 0 HG3 GLU X 76 13.561 3.199 11.097 1.00 62.45 H new ATOM 1309 N ASN X 77 13.538 4.885 9.336 1.00 10.10 N ATOM 1310 CA ASN X 77 12.472 5.929 9.411 1.00 15.13 C ATOM 1311 C ASN X 77 12.134 6.464 8.015 1.00 23.04 C ATOM 1312 O ASN X 77 10.989 6.719 7.704 1.00 63.24 O ATOM 1313 CB ASN X 77 12.949 7.085 10.294 1.00 22.42 C ATOM 1314 CG ASN X 77 14.319 7.573 9.816 1.00 60.52 C ATOM 1315 OD1 ASN X 77 15.328 6.954 10.093 1.00 40.32 O ATOM 1316 ND2 ASN X 77 14.401 8.670 9.114 1.00 51.52 N ATOM 0 H ASN X 77 14.388 5.099 9.858 1.00 10.10 H new ATOM 0 HA ASN X 77 11.577 5.478 9.839 1.00 15.13 H new ATOM 0 HB2 ASN X 77 12.229 7.903 10.258 1.00 22.42 H new ATOM 0 HB3 ASN X 77 13.011 6.760 11.332 1.00 22.42 H new ATOM 0 HD21 ASN X 77 15.311 9.007 8.799 1.00 51.52 H new ATOM 0 HD22 ASN X 77 13.555 9.191 8.881 1.00 51.52 H new ATOM 1323 N ILE X 78 13.115 6.655 7.176 1.00 31.54 N ATOM 1324 CA ILE X 78 12.829 7.195 5.814 1.00 21.51 C ATOM 1325 C ILE X 78 11.741 6.359 5.134 1.00 53.20 C ATOM 1326 O ILE X 78 10.852 6.881 4.494 1.00 50.15 O ATOM 1327 CB ILE X 78 14.099 7.151 4.967 1.00 11.31 C ATOM 1328 CG1 ILE X 78 15.249 7.810 5.734 1.00 65.21 C ATOM 1329 CG2 ILE X 78 13.862 7.906 3.658 1.00 45.30 C ATOM 1330 CD1 ILE X 78 16.324 6.768 6.042 1.00 54.44 C ATOM 0 H ILE X 78 14.097 6.462 7.372 1.00 31.54 H new ATOM 0 HA ILE X 78 12.485 8.225 5.909 1.00 21.51 H new ATOM 0 HB ILE X 78 14.355 6.114 4.750 1.00 11.31 H new ATOM 0 HG12 ILE X 78 15.674 8.622 5.145 1.00 65.21 H new ATOM 0 HG13 ILE X 78 14.878 8.249 6.660 1.00 65.21 H new ATOM 0 HG21 ILE X 78 14.767 7.876 3.052 1.00 45.30 H new ATOM 0 HG22 ILE X 78 13.043 7.438 3.111 1.00 45.30 H new ATOM 0 HG23 ILE X 78 13.606 8.943 3.877 1.00 45.30 H new ATOM 0 HD11 ILE X 78 17.141 7.239 6.588 1.00 54.44 H new ATOM 0 HD12 ILE X 78 15.895 5.971 6.649 1.00 54.44 H new ATOM 0 HD13 ILE X 78 16.704 6.350 5.110 1.00 54.44 H new ATOM 1342 N GLY X 79 11.815 5.061 5.256 1.00 42.22 N ATOM 1343 CA GLY X 79 10.792 4.188 4.609 1.00 32.23 C ATOM 1344 C GLY X 79 9.406 4.461 5.202 1.00 22.41 C ATOM 1345 O GLY X 79 8.446 4.664 4.489 1.00 0.02 O ATOM 0 H GLY X 79 12.540 4.567 5.776 1.00 42.22 H new ATOM 0 HA2 GLY X 79 10.777 4.369 3.534 1.00 32.23 H new ATOM 0 HA3 GLY X 79 11.056 3.140 4.752 1.00 32.23 H new ATOM 1349 N ILE X 80 9.293 4.452 6.503 1.00 5.22 N ATOM 1350 CA ILE X 80 7.964 4.695 7.141 1.00 53.43 C ATOM 1351 C ILE X 80 7.464 6.107 6.811 1.00 35.43 C ATOM 1352 O ILE X 80 6.286 6.332 6.626 1.00 20.13 O ATOM 1353 CB ILE X 80 8.092 4.556 8.656 1.00 52.02 C ATOM 1354 CG1 ILE X 80 8.144 3.073 9.035 1.00 22.24 C ATOM 1355 CG2 ILE X 80 6.885 5.211 9.330 1.00 2.11 C ATOM 1356 CD1 ILE X 80 9.525 2.505 8.695 1.00 1.44 C ATOM 0 H ILE X 80 10.062 4.287 7.152 1.00 5.22 H new ATOM 0 HA ILE X 80 7.254 3.963 6.757 1.00 53.43 H new ATOM 0 HB ILE X 80 9.007 5.046 8.988 1.00 52.02 H new ATOM 0 HG12 ILE X 80 7.941 2.952 10.099 1.00 22.24 H new ATOM 0 HG13 ILE X 80 7.371 2.523 8.499 1.00 22.24 H new ATOM 0 HG21 ILE X 80 6.975 5.113 10.412 1.00 2.11 H new ATOM 0 HG22 ILE X 80 6.848 6.267 9.063 1.00 2.11 H new ATOM 0 HG23 ILE X 80 5.971 4.720 8.996 1.00 2.11 H new ATOM 0 HD11 ILE X 80 9.561 1.450 8.965 1.00 1.44 H new ATOM 0 HD12 ILE X 80 9.710 2.612 7.626 1.00 1.44 H new ATOM 0 HD13 ILE X 80 10.289 3.048 9.251 1.00 1.44 H new ATOM 1368 N LYS X 81 8.351 7.064 6.749 1.00 64.30 N ATOM 1369 CA LYS X 81 7.924 8.466 6.448 1.00 55.13 C ATOM 1370 C LYS X 81 7.249 8.539 5.069 1.00 54.33 C ATOM 1371 O LYS X 81 6.273 9.235 4.884 1.00 3.31 O ATOM 1372 CB LYS X 81 9.148 9.382 6.440 1.00 70.23 C ATOM 1373 CG LYS X 81 8.718 10.836 6.231 1.00 15.45 C ATOM 1374 CD LYS X 81 9.949 11.748 6.261 1.00 32.43 C ATOM 1375 CE LYS X 81 9.516 13.206 6.065 1.00 24.13 C ATOM 1376 NZ LYS X 81 10.718 14.091 6.100 1.00 52.33 N ATOM 0 H LYS X 81 9.353 6.938 6.893 1.00 64.30 H new ATOM 0 HA LYS X 81 7.217 8.783 7.214 1.00 55.13 H new ATOM 0 HB2 LYS X 81 9.689 9.287 7.382 1.00 70.23 H new ATOM 0 HB3 LYS X 81 9.832 9.080 5.647 1.00 70.23 H new ATOM 0 HG2 LYS X 81 8.200 10.939 5.277 1.00 15.45 H new ATOM 0 HG3 LYS X 81 8.015 11.133 7.009 1.00 15.45 H new ATOM 0 HD2 LYS X 81 10.472 11.638 7.211 1.00 32.43 H new ATOM 0 HD3 LYS X 81 10.648 11.457 5.477 1.00 32.43 H new ATOM 0 HE2 LYS X 81 8.997 13.318 5.113 1.00 24.13 H new ATOM 0 HE3 LYS X 81 8.814 13.496 6.847 1.00 24.13 H new ATOM 0 HZ1 LYS X 81 10.425 15.080 5.967 1.00 52.33 H new ATOM 0 HZ2 LYS X 81 11.195 13.992 7.019 1.00 52.33 H new ATOM 0 HZ3 LYS X 81 11.372 13.819 5.339 1.00 52.33 H new ATOM 1390 N ILE X 82 7.775 7.843 4.096 1.00 22.23 N ATOM 1391 CA ILE X 82 7.187 7.905 2.723 1.00 74.43 C ATOM 1392 C ILE X 82 6.020 6.914 2.588 1.00 33.03 C ATOM 1393 O ILE X 82 5.043 7.183 1.916 1.00 10.32 O ATOM 1394 CB ILE X 82 8.268 7.542 1.712 1.00 31.30 C ATOM 1395 CG1 ILE X 82 7.666 7.528 0.305 1.00 71.33 C ATOM 1396 CG2 ILE X 82 8.828 6.155 2.042 1.00 42.12 C ATOM 1397 CD1 ILE X 82 8.789 7.480 -0.735 1.00 12.50 C ATOM 0 H ILE X 82 8.587 7.233 4.192 1.00 22.23 H new ATOM 0 HA ILE X 82 6.813 8.912 2.541 1.00 74.43 H new ATOM 0 HB ILE X 82 9.070 8.278 1.756 1.00 31.30 H new ATOM 0 HG12 ILE X 82 7.011 6.665 0.188 1.00 71.33 H new ATOM 0 HG13 ILE X 82 7.053 8.416 0.152 1.00 71.33 H new ATOM 0 HG21 ILE X 82 9.601 5.894 1.320 1.00 42.12 H new ATOM 0 HG22 ILE X 82 9.256 6.164 3.044 1.00 42.12 H new ATOM 0 HG23 ILE X 82 8.026 5.419 1.997 1.00 42.12 H new ATOM 0 HD11 ILE X 82 8.358 7.470 -1.736 1.00 12.50 H new ATOM 0 HD12 ILE X 82 9.426 8.357 -0.623 1.00 12.50 H new ATOM 0 HD13 ILE X 82 9.384 6.578 -0.587 1.00 12.50 H new ATOM 1409 N PHE X 83 6.115 5.773 3.210 1.00 64.12 N ATOM 1410 CA PHE X 83 5.016 4.769 3.105 1.00 4.22 C ATOM 1411 C PHE X 83 3.694 5.393 3.572 1.00 64.44 C ATOM 1412 O PHE X 83 2.656 5.191 2.970 1.00 24.24 O ATOM 1413 CB PHE X 83 5.356 3.565 3.986 1.00 63.22 C ATOM 1414 CG PHE X 83 5.906 2.446 3.132 1.00 31.20 C ATOM 1415 CD1 PHE X 83 5.087 1.825 2.179 1.00 73.41 C ATOM 1416 CD2 PHE X 83 7.236 2.035 3.286 1.00 11.32 C ATOM 1417 CE1 PHE X 83 5.598 0.793 1.383 1.00 33.10 C ATOM 1418 CE2 PHE X 83 7.744 1.001 2.490 1.00 50.33 C ATOM 1419 CZ PHE X 83 6.926 0.380 1.538 1.00 63.33 C ATOM 0 H PHE X 83 6.907 5.490 3.788 1.00 64.12 H new ATOM 0 HA PHE X 83 4.910 4.450 2.068 1.00 4.22 H new ATOM 0 HB2 PHE X 83 6.087 3.851 4.742 1.00 63.22 H new ATOM 0 HB3 PHE X 83 4.465 3.227 4.515 1.00 63.22 H new ATOM 0 HD1 PHE X 83 4.062 2.143 2.059 1.00 73.41 H new ATOM 0 HD2 PHE X 83 7.869 2.515 4.018 1.00 11.32 H new ATOM 0 HE1 PHE X 83 4.967 0.315 0.649 1.00 33.10 H new ATOM 0 HE2 PHE X 83 8.769 0.682 2.611 1.00 50.33 H new ATOM 0 HZ PHE X 83 7.320 -0.417 0.924 1.00 63.33 H new ATOM 1429 N GLN X 84 3.725 6.146 4.635 1.00 3.32 N ATOM 1430 CA GLN X 84 2.481 6.803 5.130 1.00 51.11 C ATOM 1431 C GLN X 84 1.906 7.692 4.024 1.00 4.11 C ATOM 1432 O GLN X 84 0.717 7.687 3.765 1.00 74.53 O ATOM 1433 CB GLN X 84 2.830 7.652 6.356 1.00 23.32 C ATOM 1434 CG GLN X 84 1.555 8.237 6.971 1.00 55.20 C ATOM 1435 CD GLN X 84 1.921 9.010 8.241 1.00 32.22 C ATOM 1436 OE1 GLN X 84 2.667 9.967 8.188 1.00 35.30 O ATOM 1437 NE2 GLN X 84 1.430 8.627 9.389 1.00 64.23 N ATOM 0 H GLN X 84 4.562 6.336 5.186 1.00 3.32 H new ATOM 0 HA GLN X 84 1.739 6.053 5.404 1.00 51.11 H new ATOM 0 HB2 GLN X 84 3.352 7.042 7.093 1.00 23.32 H new ATOM 0 HB3 GLN X 84 3.507 8.457 6.070 1.00 23.32 H new ATOM 0 HG2 GLN X 84 1.062 8.897 6.258 1.00 55.20 H new ATOM 0 HG3 GLN X 84 0.851 7.439 7.206 1.00 55.20 H new ATOM 0 HE21 GLN X 84 0.804 7.823 9.433 1.00 64.23 H new ATOM 0 HE22 GLN X 84 1.673 9.132 10.241 1.00 64.23 H new ATOM 1446 N ARG X 85 2.742 8.451 3.369 1.00 53.44 N ATOM 1447 CA ARG X 85 2.257 9.319 2.262 1.00 20.42 C ATOM 1448 C ARG X 85 1.433 8.469 1.280 1.00 64.32 C ATOM 1449 O ARG X 85 0.405 8.891 0.787 1.00 20.32 O ATOM 1450 CB ARG X 85 3.460 9.937 1.529 1.00 51.13 C ATOM 1451 CG ARG X 85 4.295 10.807 2.488 1.00 32.50 C ATOM 1452 CD ARG X 85 3.470 12.020 2.938 1.00 53.45 C ATOM 1453 NE ARG X 85 4.380 13.125 3.359 1.00 74.01 N ATOM 1454 CZ ARG X 85 3.882 14.311 3.616 1.00 41.40 C ATOM 1455 NH1 ARG X 85 2.582 14.481 3.623 1.00 43.13 N ATOM 1456 NH2 ARG X 85 4.657 15.317 3.934 1.00 33.34 N ATOM 0 H ARG X 85 3.743 8.506 3.555 1.00 53.44 H new ATOM 0 HA ARG X 85 1.635 10.118 2.666 1.00 20.42 H new ATOM 0 HB2 ARG X 85 4.083 9.146 1.112 1.00 51.13 H new ATOM 0 HB3 ARG X 85 3.111 10.542 0.692 1.00 51.13 H new ATOM 0 HG2 ARG X 85 4.599 10.220 3.355 1.00 32.50 H new ATOM 0 HG3 ARG X 85 5.207 11.139 1.992 1.00 32.50 H new ATOM 0 HD2 ARG X 85 2.828 12.356 2.124 1.00 53.45 H new ATOM 0 HD3 ARG X 85 2.817 11.740 3.765 1.00 53.45 H new ATOM 0 HE ARG X 85 5.383 12.959 3.446 1.00 74.01 H new ATOM 0 HH11 ARG X 85 1.964 13.693 3.429 1.00 43.13 H new ATOM 0 HH12 ARG X 85 2.189 15.401 3.822 1.00 43.13 H new ATOM 0 HH21 ARG X 85 5.667 15.186 3.985 1.00 33.34 H new ATOM 0 HH22 ARG X 85 4.251 16.232 4.130 1.00 33.34 H new ATOM 1470 N LEU X 86 1.881 7.271 1.000 1.00 62.43 N ATOM 1471 CA LEU X 86 1.129 6.381 0.061 1.00 30.43 C ATOM 1472 C LEU X 86 -0.232 6.019 0.663 1.00 24.03 C ATOM 1473 O LEU X 86 -1.235 5.975 -0.021 1.00 63.14 O ATOM 1474 CB LEU X 86 1.927 5.092 -0.169 1.00 45.15 C ATOM 1475 CG LEU X 86 3.249 5.405 -0.875 1.00 44.52 C ATOM 1476 CD1 LEU X 86 4.100 4.137 -0.968 1.00 44.13 C ATOM 1477 CD2 LEU X 86 2.969 5.937 -2.278 1.00 71.33 C ATOM 0 H LEU X 86 2.737 6.869 1.382 1.00 62.43 H new ATOM 0 HA LEU X 86 0.983 6.904 -0.884 1.00 30.43 H new ATOM 0 HB2 LEU X 86 2.123 4.602 0.785 1.00 45.15 H new ATOM 0 HB3 LEU X 86 1.342 4.396 -0.770 1.00 45.15 H new ATOM 0 HG LEU X 86 3.790 6.159 -0.303 1.00 44.52 H new ATOM 0 HD11 LEU X 86 5.040 4.365 -1.471 1.00 44.13 H new ATOM 0 HD12 LEU X 86 4.307 3.763 0.035 1.00 44.13 H new ATOM 0 HD13 LEU X 86 3.561 3.378 -1.534 1.00 44.13 H new ATOM 0 HD21 LEU X 86 3.912 6.159 -2.778 1.00 71.33 H new ATOM 0 HD22 LEU X 86 2.423 5.186 -2.850 1.00 71.33 H new ATOM 0 HD23 LEU X 86 2.372 6.846 -2.210 1.00 71.33 H new ATOM 1489 N ILE X 87 -0.273 5.753 1.943 1.00 34.44 N ATOM 1490 CA ILE X 87 -1.567 5.387 2.594 1.00 64.33 C ATOM 1491 C ILE X 87 -2.530 6.578 2.529 1.00 20.30 C ATOM 1492 O ILE X 87 -3.704 6.426 2.258 1.00 4.44 O ATOM 1493 CB ILE X 87 -1.312 5.013 4.057 1.00 43.52 C ATOM 1494 CG1 ILE X 87 -0.236 3.923 4.129 1.00 72.15 C ATOM 1495 CG2 ILE X 87 -2.604 4.498 4.690 1.00 50.02 C ATOM 1496 CD1 ILE X 87 -0.658 2.716 3.286 1.00 42.22 C ATOM 0 H ILE X 87 0.534 5.773 2.566 1.00 34.44 H new ATOM 0 HA ILE X 87 -2.009 4.538 2.073 1.00 64.33 H new ATOM 0 HB ILE X 87 -0.971 5.895 4.599 1.00 43.52 H new ATOM 0 HG12 ILE X 87 0.715 4.315 3.768 1.00 72.15 H new ATOM 0 HG13 ILE X 87 -0.083 3.619 5.164 1.00 72.15 H new ATOM 0 HG21 ILE X 87 -2.419 4.233 5.731 1.00 50.02 H new ATOM 0 HG22 ILE X 87 -3.367 5.275 4.644 1.00 50.02 H new ATOM 0 HG23 ILE X 87 -2.949 3.618 4.147 1.00 50.02 H new ATOM 0 HD11 ILE X 87 0.111 1.946 3.342 1.00 42.22 H new ATOM 0 HD12 ILE X 87 -1.599 2.318 3.666 1.00 42.22 H new ATOM 0 HD13 ILE X 87 -0.788 3.024 2.249 1.00 42.22 H new ATOM 1508 N GLU X 88 -2.039 7.763 2.773 1.00 74.11 N ATOM 1509 CA GLU X 88 -2.924 8.964 2.739 1.00 13.14 C ATOM 1510 C GLU X 88 -3.654 9.014 1.395 1.00 20.12 C ATOM 1511 O GLU X 88 -4.864 9.120 1.334 1.00 40.25 O ATOM 1512 CB GLU X 88 -2.065 10.221 2.907 1.00 42.41 C ATOM 1513 CG GLU X 88 -2.958 11.461 3.001 1.00 45.01 C ATOM 1514 CD GLU X 88 -3.752 11.414 4.310 1.00 12.40 C ATOM 1515 OE1 GLU X 88 -3.441 10.572 5.138 1.00 75.42 O ATOM 1516 OE2 GLU X 88 -4.655 12.218 4.462 1.00 73.00 O ATOM 0 H GLU X 88 -1.062 7.952 2.995 1.00 74.11 H new ATOM 0 HA GLU X 88 -3.656 8.912 3.545 1.00 13.14 H new ATOM 0 HB2 GLU X 88 -1.453 10.135 3.805 1.00 42.41 H new ATOM 0 HB3 GLU X 88 -1.381 10.319 2.064 1.00 42.41 H new ATOM 0 HG2 GLU X 88 -2.350 12.365 2.963 1.00 45.01 H new ATOM 0 HG3 GLU X 88 -3.639 11.499 2.150 1.00 45.01 H new ATOM 1523 N HIS X 89 -2.925 8.932 0.316 1.00 31.35 N ATOM 1524 CA HIS X 89 -3.562 8.994 -1.030 1.00 5.44 C ATOM 1525 C HIS X 89 -4.437 7.752 -1.233 1.00 45.14 C ATOM 1526 O HIS X 89 -5.349 7.744 -2.038 1.00 4.14 O ATOM 1527 CB HIS X 89 -2.464 9.068 -2.098 1.00 2.51 C ATOM 1528 CG HIS X 89 -2.196 7.710 -2.689 1.00 72.25 C ATOM 1529 ND1 HIS X 89 -1.190 6.879 -2.210 1.00 43.44 N ATOM 1530 CD2 HIS X 89 -2.760 7.043 -3.748 1.00 0.55 C ATOM 1531 CE1 HIS X 89 -1.179 5.772 -2.977 1.00 44.21 C ATOM 1532 NE2 HIS X 89 -2.115 5.824 -3.926 1.00 4.33 N ATOM 0 H HIS X 89 -1.911 8.824 0.309 1.00 31.35 H new ATOM 0 HA HIS X 89 -4.193 9.879 -1.112 1.00 5.44 H new ATOM 0 HB2 HIS X 89 -2.764 9.759 -2.886 1.00 2.51 H new ATOM 0 HB3 HIS X 89 -1.549 9.464 -1.658 1.00 2.51 H new ATOM 0 HD2 HIS X 89 -3.579 7.409 -4.350 1.00 0.55 H new ATOM 0 HE1 HIS X 89 -0.497 4.945 -2.841 1.00 44.21 H new ATOM 0 HE2 HIS X 89 -2.316 5.118 -4.634 1.00 4.33 H new ATOM 1541 N ASN X 90 -4.178 6.711 -0.489 1.00 33.24 N ATOM 1542 CA ASN X 90 -4.995 5.471 -0.613 1.00 34.44 C ATOM 1543 C ASN X 90 -6.409 5.757 -0.092 1.00 43.01 C ATOM 1544 O ASN X 90 -7.395 5.416 -0.716 1.00 54.24 O ATOM 1545 CB ASN X 90 -4.347 4.362 0.226 1.00 73.41 C ATOM 1546 CG ASN X 90 -4.891 2.997 -0.200 1.00 31.52 C ATOM 1547 OD1 ASN X 90 -4.198 2.222 -0.829 1.00 52.44 O ATOM 1548 ND2 ASN X 90 -6.117 2.669 0.109 1.00 43.21 N ATOM 0 H ASN X 90 -3.431 6.667 0.204 1.00 33.24 H new ATOM 0 HA ASN X 90 -5.047 5.153 -1.654 1.00 34.44 H new ATOM 0 HB2 ASN X 90 -3.264 4.386 0.101 1.00 73.41 H new ATOM 0 HB3 ASN X 90 -4.550 4.529 1.284 1.00 73.41 H new ATOM 0 HD21 ASN X 90 -6.491 1.764 -0.178 1.00 43.21 H new ATOM 0 HD22 ASN X 90 -6.701 3.318 0.637 1.00 43.21 H new ATOM 1555 N LYS X 91 -6.509 6.390 1.049 1.00 32.33 N ATOM 1556 CA LYS X 91 -7.850 6.704 1.624 1.00 20.42 C ATOM 1557 C LYS X 91 -8.432 7.921 0.903 1.00 63.20 C ATOM 1558 O LYS X 91 -9.595 7.961 0.556 1.00 0.42 O ATOM 1559 CB LYS X 91 -7.698 7.019 3.121 1.00 40.45 C ATOM 1560 CG LYS X 91 -6.546 8.010 3.335 1.00 72.33 C ATOM 1561 CD LYS X 91 -6.329 8.237 4.837 1.00 21.03 C ATOM 1562 CE LYS X 91 -7.559 8.925 5.440 1.00 2.14 C ATOM 1563 NZ LYS X 91 -7.189 9.562 6.739 1.00 62.21 N ATOM 0 H LYS X 91 -5.716 6.704 1.609 1.00 32.33 H new ATOM 0 HA LYS X 91 -8.516 5.851 1.497 1.00 20.42 H new ATOM 0 HB2 LYS X 91 -8.626 7.439 3.509 1.00 40.45 H new ATOM 0 HB3 LYS X 91 -7.507 6.101 3.677 1.00 40.45 H new ATOM 0 HG2 LYS X 91 -5.633 7.625 2.880 1.00 72.33 H new ATOM 0 HG3 LYS X 91 -6.772 8.956 2.844 1.00 72.33 H new ATOM 0 HD2 LYS X 91 -6.152 7.284 5.336 1.00 21.03 H new ATOM 0 HD3 LYS X 91 -5.442 8.850 4.997 1.00 21.03 H new ATOM 0 HE2 LYS X 91 -7.942 9.677 4.750 1.00 2.14 H new ATOM 0 HE3 LYS X 91 -8.356 8.198 5.594 1.00 2.14 H new ATOM 0 HZ1 LYS X 91 -8.024 10.028 7.147 1.00 62.21 H new ATOM 0 HZ2 LYS X 91 -6.843 8.834 7.396 1.00 62.21 H new ATOM 0 HZ3 LYS X 91 -6.442 10.268 6.579 1.00 62.21 H new ATOM 1577 N ALA X 92 -7.618 8.919 0.688 1.00 21.32 N ATOM 1578 CA ALA X 92 -8.091 10.158 0.002 1.00 42.04 C ATOM 1579 C ALA X 92 -8.897 9.825 -1.258 1.00 33.21 C ATOM 1580 O ALA X 92 -10.014 10.275 -1.424 1.00 2.23 O ATOM 1581 CB ALA X 92 -6.884 11.000 -0.409 1.00 12.50 C ATOM 0 H ALA X 92 -6.635 8.930 0.961 1.00 21.32 H new ATOM 0 HA ALA X 92 -8.730 10.703 0.697 1.00 42.04 H new ATOM 0 HB1 ALA X 92 -7.226 11.906 -0.910 1.00 12.50 H new ATOM 0 HB2 ALA X 92 -6.310 11.270 0.477 1.00 12.50 H new ATOM 0 HB3 ALA X 92 -6.254 10.425 -1.088 1.00 12.50 H new ATOM 1587 N LEU X 93 -8.330 9.072 -2.164 1.00 71.31 N ATOM 1588 CA LEU X 93 -9.055 8.765 -3.433 1.00 42.45 C ATOM 1589 C LEU X 93 -10.128 7.696 -3.188 1.00 72.44 C ATOM 1590 O LEU X 93 -11.109 7.618 -3.903 1.00 45.13 O ATOM 1591 CB LEU X 93 -8.037 8.336 -4.506 1.00 44.10 C ATOM 1592 CG LEU X 93 -7.912 6.809 -4.623 1.00 31.02 C ATOM 1593 CD1 LEU X 93 -7.676 6.183 -3.250 1.00 54.54 C ATOM 1594 CD2 LEU X 93 -9.181 6.230 -5.247 1.00 74.41 C ATOM 0 H LEU X 93 -7.401 8.658 -2.081 1.00 71.31 H new ATOM 0 HA LEU X 93 -9.572 9.654 -3.794 1.00 42.45 H new ATOM 0 HB2 LEU X 93 -8.335 8.748 -5.470 1.00 44.10 H new ATOM 0 HB3 LEU X 93 -7.062 8.760 -4.267 1.00 44.10 H new ATOM 0 HG LEU X 93 -7.059 6.578 -5.261 1.00 31.02 H new ATOM 0 HD11 LEU X 93 -7.590 5.101 -3.353 1.00 54.54 H new ATOM 0 HD12 LEU X 93 -6.756 6.581 -2.822 1.00 54.54 H new ATOM 0 HD13 LEU X 93 -8.513 6.419 -2.594 1.00 54.54 H new ATOM 0 HD21 LEU X 93 -9.086 5.147 -5.327 1.00 74.41 H new ATOM 0 HD22 LEU X 93 -10.039 6.473 -4.620 1.00 74.41 H new ATOM 0 HD23 LEU X 93 -9.325 6.656 -6.240 1.00 74.41 H new ATOM 1606 N GLN X 94 -9.980 6.905 -2.164 1.00 51.33 N ATOM 1607 CA GLN X 94 -11.016 5.882 -1.857 1.00 23.03 C ATOM 1608 C GLN X 94 -12.320 6.594 -1.480 1.00 40.23 C ATOM 1609 O GLN X 94 -13.380 6.296 -2.000 1.00 53.40 O ATOM 1610 CB GLN X 94 -10.544 5.034 -0.674 1.00 63.41 C ATOM 1611 CG GLN X 94 -10.131 3.650 -1.170 1.00 73.30 C ATOM 1612 CD GLN X 94 -9.713 2.782 0.016 1.00 21.33 C ATOM 1613 OE1 GLN X 94 -8.515 2.925 0.519 1.00 53.33 O flip ATOM 1614 NE2 GLN X 94 -10.478 1.964 0.491 1.00 71.02 N flip ATOM 0 H GLN X 94 -9.185 6.923 -1.525 1.00 51.33 H new ATOM 0 HA GLN X 94 -11.180 5.244 -2.725 1.00 23.03 H new ATOM 0 HB2 GLN X 94 -9.704 5.519 -0.178 1.00 63.41 H new ATOM 0 HB3 GLN X 94 -11.341 4.944 0.064 1.00 63.41 H new ATOM 0 HG2 GLN X 94 -10.959 3.182 -1.702 1.00 73.30 H new ATOM 0 HG3 GLN X 94 -9.306 3.738 -1.878 1.00 73.30 H new ATOM 0 HE21 GLN X 94 -11.413 1.852 0.099 1.00 71.02 H new ATOM 0 HE22 GLN X 94 -10.185 1.390 1.281 1.00 71.02 H new ATOM 1623 N LYS X 95 -12.243 7.536 -0.577 1.00 24.23 N ATOM 1624 CA LYS X 95 -13.465 8.275 -0.144 1.00 52.15 C ATOM 1625 C LYS X 95 -14.028 9.078 -1.323 1.00 54.22 C ATOM 1626 O LYS X 95 -15.223 9.128 -1.537 1.00 63.00 O ATOM 1627 CB LYS X 95 -13.103 9.242 0.994 1.00 20.40 C ATOM 1628 CG LYS X 95 -12.702 8.462 2.251 1.00 31.14 C ATOM 1629 CD LYS X 95 -12.375 9.451 3.376 1.00 23.44 C ATOM 1630 CE LYS X 95 -11.994 8.688 4.648 1.00 42.12 C ATOM 1631 NZ LYS X 95 -11.669 9.661 5.734 1.00 42.02 N ATOM 0 H LYS X 95 -11.380 7.827 -0.118 1.00 24.23 H new ATOM 0 HA LYS X 95 -14.212 7.560 0.202 1.00 52.15 H new ATOM 0 HB2 LYS X 95 -12.283 9.889 0.683 1.00 20.40 H new ATOM 0 HB3 LYS X 95 -13.953 9.888 1.215 1.00 20.40 H new ATOM 0 HG2 LYS X 95 -13.512 7.800 2.557 1.00 31.14 H new ATOM 0 HG3 LYS X 95 -11.838 7.832 2.042 1.00 31.14 H new ATOM 0 HD2 LYS X 95 -11.555 10.102 3.073 1.00 23.44 H new ATOM 0 HD3 LYS X 95 -13.235 10.092 3.570 1.00 23.44 H new ATOM 0 HE2 LYS X 95 -12.816 8.042 4.958 1.00 42.12 H new ATOM 0 HE3 LYS X 95 -11.137 8.043 4.455 1.00 42.12 H new ATOM 0 HZ1 LYS X 95 -11.410 9.143 6.598 1.00 42.02 H new ATOM 0 HZ2 LYS X 95 -10.872 10.259 5.437 1.00 42.02 H new ATOM 0 HZ3 LYS X 95 -12.498 10.259 5.924 1.00 42.02 H new ATOM 1645 N GLN X 96 -13.178 9.715 -2.083 1.00 11.40 N ATOM 1646 CA GLN X 96 -13.663 10.518 -3.242 1.00 62.05 C ATOM 1647 C GLN X 96 -14.305 9.588 -4.276 1.00 13.43 C ATOM 1648 O GLN X 96 -15.331 9.894 -4.850 1.00 11.03 O ATOM 1649 CB GLN X 96 -12.479 11.260 -3.875 1.00 64.24 C ATOM 1650 CG GLN X 96 -11.998 12.369 -2.929 1.00 13.52 C ATOM 1651 CD GLN X 96 -10.815 13.109 -3.558 1.00 51.13 C ATOM 1652 OE1 GLN X 96 -9.768 13.227 -2.955 1.00 64.43 O ATOM 1653 NE2 GLN X 96 -10.939 13.615 -4.756 1.00 43.13 N ATOM 0 H GLN X 96 -12.167 9.714 -1.951 1.00 11.40 H new ATOM 0 HA GLN X 96 -14.404 11.242 -2.903 1.00 62.05 H new ATOM 0 HB2 GLN X 96 -11.666 10.563 -4.076 1.00 64.24 H new ATOM 0 HB3 GLN X 96 -12.776 11.689 -4.832 1.00 64.24 H new ATOM 0 HG2 GLN X 96 -12.811 13.067 -2.729 1.00 13.52 H new ATOM 0 HG3 GLN X 96 -11.703 11.940 -1.971 1.00 13.52 H new ATOM 0 HE21 GLN X 96 -11.819 13.516 -5.263 1.00 43.13 H new ATOM 0 HE22 GLN X 96 -10.156 14.109 -5.184 1.00 43.13 H new ATOM 1662 N TYR X 97 -13.703 8.454 -4.513 1.00 45.25 N ATOM 1663 CA TYR X 97 -14.254 7.495 -5.517 1.00 62.35 C ATOM 1664 C TYR X 97 -15.641 7.021 -5.073 1.00 71.21 C ATOM 1665 O TYR X 97 -16.599 7.087 -5.819 1.00 32.33 O ATOM 1666 CB TYR X 97 -13.312 6.291 -5.624 1.00 1.13 C ATOM 1667 CG TYR X 97 -13.984 5.173 -6.387 1.00 3.32 C ATOM 1668 CD1 TYR X 97 -14.075 5.238 -7.783 1.00 74.04 C ATOM 1669 CD2 TYR X 97 -14.533 4.083 -5.700 1.00 13.24 C ATOM 1670 CE1 TYR X 97 -14.705 4.207 -8.492 1.00 72.10 C ATOM 1671 CE2 TYR X 97 -15.166 3.055 -6.409 1.00 34.51 C ATOM 1672 CZ TYR X 97 -15.256 3.119 -7.805 1.00 72.34 C ATOM 1673 OH TYR X 97 -15.882 2.108 -8.503 1.00 3.11 O ATOM 0 H TYR X 97 -12.847 8.147 -4.051 1.00 45.25 H new ATOM 0 HA TYR X 97 -14.339 7.987 -6.486 1.00 62.35 H new ATOM 0 HB2 TYR X 97 -12.391 6.584 -6.128 1.00 1.13 H new ATOM 0 HB3 TYR X 97 -13.035 5.947 -4.628 1.00 1.13 H new ATOM 0 HD1 TYR X 97 -13.660 6.083 -8.313 1.00 74.04 H new ATOM 0 HD2 TYR X 97 -14.468 4.035 -4.623 1.00 13.24 H new ATOM 0 HE1 TYR X 97 -14.766 4.252 -9.569 1.00 72.10 H new ATOM 0 HE2 TYR X 97 -15.585 2.212 -5.879 1.00 34.51 H new ATOM 0 HH TYR X 97 -16.207 1.430 -7.875 1.00 3.11 H new ATOM 1683 N LEU X 98 -15.754 6.537 -3.863 1.00 51.53 N ATOM 1684 CA LEU X 98 -17.072 6.031 -3.375 1.00 52.20 C ATOM 1685 C LEU X 98 -18.102 7.168 -3.393 1.00 31.31 C ATOM 1686 O LEU X 98 -19.249 6.975 -3.744 1.00 11.44 O ATOM 1687 CB LEU X 98 -16.930 5.514 -1.939 1.00 5.51 C ATOM 1688 CG LEU X 98 -16.112 4.218 -1.901 1.00 12.44 C ATOM 1689 CD1 LEU X 98 -15.879 3.818 -0.442 1.00 73.22 C ATOM 1690 CD2 LEU X 98 -16.875 3.094 -2.609 1.00 2.34 C ATOM 0 H LEU X 98 -14.990 6.470 -3.191 1.00 51.53 H new ATOM 0 HA LEU X 98 -17.403 5.222 -4.027 1.00 52.20 H new ATOM 0 HB2 LEU X 98 -16.447 6.272 -1.322 1.00 5.51 H new ATOM 0 HB3 LEU X 98 -17.918 5.338 -1.513 1.00 5.51 H new ATOM 0 HG LEU X 98 -15.160 4.380 -2.406 1.00 12.44 H new ATOM 0 HD11 LEU X 98 -15.298 2.897 -0.406 1.00 73.22 H new ATOM 0 HD12 LEU X 98 -15.334 4.611 0.070 1.00 73.22 H new ATOM 0 HD13 LEU X 98 -16.839 3.661 0.050 1.00 73.22 H new ATOM 0 HD21 LEU X 98 -16.286 2.178 -2.577 1.00 2.34 H new ATOM 0 HD22 LEU X 98 -17.829 2.930 -2.108 1.00 2.34 H new ATOM 0 HD23 LEU X 98 -17.054 3.374 -3.647 1.00 2.34 H new ATOM 1702 N GLU X 99 -17.700 8.352 -3.000 1.00 14.35 N ATOM 1703 CA GLU X 99 -18.645 9.513 -3.004 1.00 3.22 C ATOM 1704 C GLU X 99 -19.034 9.871 -4.439 1.00 21.54 C ATOM 1705 O GLU X 99 -20.159 10.236 -4.715 1.00 51.21 O ATOM 1706 CB GLU X 99 -17.963 10.724 -2.361 1.00 41.04 C ATOM 1707 CG GLU X 99 -17.840 10.507 -0.850 1.00 60.54 C ATOM 1708 CD GLU X 99 -17.065 11.674 -0.227 1.00 62.22 C ATOM 1709 OE1 GLU X 99 -16.677 12.565 -0.965 1.00 11.11 O ATOM 1710 OE2 GLU X 99 -16.875 11.658 0.979 1.00 53.14 O ATOM 0 H GLU X 99 -16.757 8.565 -2.676 1.00 14.35 H new ATOM 0 HA GLU X 99 -19.539 9.242 -2.443 1.00 3.22 H new ATOM 0 HB2 GLU X 99 -16.976 10.872 -2.798 1.00 41.04 H new ATOM 0 HB3 GLU X 99 -18.539 11.627 -2.562 1.00 41.04 H new ATOM 0 HG2 GLU X 99 -18.830 10.433 -0.401 1.00 60.54 H new ATOM 0 HG3 GLU X 99 -17.327 9.567 -0.647 1.00 60.54 H new ATOM 1717 N GLU X 100 -18.105 9.790 -5.351 1.00 61.42 N ATOM 1718 CA GLU X 100 -18.412 10.151 -6.765 1.00 12.32 C ATOM 1719 C GLU X 100 -19.273 9.064 -7.421 1.00 22.21 C ATOM 1720 O GLU X 100 -19.920 9.297 -8.423 1.00 2.34 O ATOM 1721 CB GLU X 100 -17.099 10.328 -7.533 1.00 31.35 C ATOM 1722 CG GLU X 100 -16.752 9.048 -8.303 1.00 22.13 C ATOM 1723 CD GLU X 100 -17.517 9.019 -9.627 1.00 62.51 C ATOM 1724 OE1 GLU X 100 -18.236 9.967 -9.895 1.00 22.23 O ATOM 1725 OE2 GLU X 100 -17.373 8.047 -10.350 1.00 61.44 O ATOM 0 H GLU X 100 -17.146 9.489 -5.179 1.00 61.42 H new ATOM 0 HA GLU X 100 -18.973 11.085 -6.786 1.00 12.32 H new ATOM 0 HB2 GLU X 100 -17.186 11.165 -8.226 1.00 31.35 H new ATOM 0 HB3 GLU X 100 -16.295 10.572 -6.839 1.00 31.35 H new ATOM 0 HG2 GLU X 100 -15.679 9.005 -8.491 1.00 22.13 H new ATOM 0 HG3 GLU X 100 -17.007 8.173 -7.706 1.00 22.13 H new ATOM 1732 N THR X 101 -19.300 7.885 -6.861 1.00 61.24 N ATOM 1733 CA THR X 101 -20.146 6.805 -7.444 1.00 12.42 C ATOM 1734 C THR X 101 -21.573 6.931 -6.893 1.00 22.32 C ATOM 1735 O THR X 101 -22.533 6.544 -7.531 1.00 34.52 O ATOM 1736 CB THR X 101 -19.571 5.444 -7.062 1.00 52.25 C ATOM 1737 OG1 THR X 101 -19.182 5.466 -5.695 1.00 14.03 O ATOM 1738 CG2 THR X 101 -18.356 5.135 -7.936 1.00 61.11 C ATOM 0 H THR X 101 -18.774 7.623 -6.027 1.00 61.24 H new ATOM 0 HA THR X 101 -20.162 6.898 -8.530 1.00 12.42 H new ATOM 0 HB THR X 101 -20.327 4.674 -7.214 1.00 52.25 H new ATOM 0 HG1 THR X 101 -19.678 6.169 -5.225 1.00 14.03 H new ATOM 0 HG21 THR X 101 -17.948 4.163 -7.661 1.00 61.11 H new ATOM 0 HG22 THR X 101 -18.656 5.119 -8.984 1.00 61.11 H new ATOM 0 HG23 THR X 101 -17.596 5.903 -7.788 1.00 61.11 H new ATOM 1746 N LEU X 102 -21.717 7.476 -5.714 1.00 21.54 N ATOM 1747 CA LEU X 102 -23.080 7.642 -5.124 1.00 51.35 C ATOM 1748 C LEU X 102 -23.767 8.853 -5.768 1.00 34.15 C ATOM 1749 O LEU X 102 -24.980 8.931 -5.828 1.00 25.44 O ATOM 1750 CB LEU X 102 -22.968 7.860 -3.610 1.00 11.21 C ATOM 1751 CG LEU X 102 -22.389 6.606 -2.946 1.00 63.43 C ATOM 1752 CD1 LEU X 102 -22.103 6.891 -1.472 1.00 31.43 C ATOM 1753 CD2 LEU X 102 -23.404 5.461 -3.047 1.00 42.04 C ATOM 0 H LEU X 102 -20.950 7.814 -5.133 1.00 21.54 H new ATOM 0 HA LEU X 102 -23.668 6.744 -5.313 1.00 51.35 H new ATOM 0 HB2 LEU X 102 -22.330 8.719 -3.403 1.00 11.21 H new ATOM 0 HB3 LEU X 102 -23.950 8.084 -3.192 1.00 11.21 H new ATOM 0 HG LEU X 102 -21.464 6.326 -3.451 1.00 63.43 H new ATOM 0 HD11 LEU X 102 -21.691 5.998 -1.002 1.00 31.43 H new ATOM 0 HD12 LEU X 102 -21.385 7.707 -1.392 1.00 31.43 H new ATOM 0 HD13 LEU X 102 -23.029 7.172 -0.969 1.00 31.43 H new ATOM 0 HD21 LEU X 102 -22.994 4.568 -2.575 1.00 42.04 H new ATOM 0 HD22 LEU X 102 -24.327 5.747 -2.542 1.00 42.04 H new ATOM 0 HD23 LEU X 102 -23.614 5.253 -4.096 1.00 42.04 H new ATOM 1765 N GLU X 103 -23.002 9.790 -6.259 1.00 4.00 N ATOM 1766 CA GLU X 103 -23.595 11.001 -6.907 1.00 23.43 C ATOM 1767 C GLU X 103 -23.722 10.768 -8.414 1.00 3.04 C ATOM 1768 O GLU X 103 -22.769 10.433 -9.095 1.00 71.20 O ATOM 1769 CB GLU X 103 -22.659 12.189 -6.693 1.00 51.34 C ATOM 1770 CG GLU X 103 -22.629 12.585 -5.218 1.00 51.21 C ATOM 1771 CD GLU X 103 -21.630 13.727 -5.032 1.00 21.11 C ATOM 1772 OE1 GLU X 103 -21.086 14.176 -6.027 1.00 13.43 O ATOM 1773 OE2 GLU X 103 -21.428 14.134 -3.902 1.00 62.22 O ATOM 0 H GLU X 103 -21.982 9.770 -6.240 1.00 4.00 H new ATOM 0 HA GLU X 103 -24.575 11.196 -6.471 1.00 23.43 H new ATOM 0 HB2 GLU X 103 -21.654 11.933 -7.028 1.00 51.34 H new ATOM 0 HB3 GLU X 103 -22.990 13.034 -7.296 1.00 51.34 H new ATOM 0 HG2 GLU X 103 -23.621 12.895 -4.891 1.00 51.21 H new ATOM 0 HG3 GLU X 103 -22.344 11.731 -4.604 1.00 51.21 H new ATOM 1780 N HIS X 104 -24.907 10.943 -8.925 1.00 14.22 N ATOM 1781 CA HIS X 104 -25.151 10.750 -10.383 1.00 20.33 C ATOM 1782 C HIS X 104 -26.566 11.204 -10.706 1.00 24.20 C ATOM 1783 O HIS X 104 -27.096 12.005 -9.939 1.00 0.00 O ATOM 1784 CB HIS X 104 -24.993 9.263 -10.747 1.00 12.13 C ATOM 1785 CG HIS X 104 -25.911 8.423 -9.892 1.00 24.42 C ATOM 1786 ND1 HIS X 104 -25.506 7.878 -8.679 1.00 14.11 N ATOM 1787 CD2 HIS X 104 -27.206 7.993 -10.079 1.00 75.42 C ATOM 1788 CE1 HIS X 104 -26.534 7.155 -8.193 1.00 41.30 C ATOM 1789 NE2 HIS X 104 -27.589 7.193 -9.008 1.00 44.03 N ATOM 1790 OXT HIS X 104 -27.103 10.739 -11.710 1.00 0.00 O ATOM 0 H HIS X 104 -25.730 11.216 -8.387 1.00 14.22 H new ATOM 0 HA HIS X 104 -24.431 11.334 -10.957 1.00 20.33 H new ATOM 0 HB2 HIS X 104 -25.224 9.111 -11.801 1.00 12.13 H new ATOM 0 HB3 HIS X 104 -23.959 8.952 -10.600 1.00 12.13 H new ATOM 0 HD2 HIS X 104 -27.828 8.239 -10.927 1.00 75.42 H new ATOM 0 HE1 HIS X 104 -26.507 6.612 -7.260 1.00 41.30 H new ATOM 0 HE2 HIS X 104 -28.489 6.732 -8.874 1.00 44.03 H new TER 1799 HIS X 104 HETATM 1800 C1 TSA X 501 -5.003 0.528 2.856 1.00 32.37 C HETATM 1801 C2 TSA X 501 -5.083 -0.065 4.270 1.00 32.49 C HETATM 1802 C3 TSA X 501 -6.246 -0.010 4.948 1.00 33.06 C HETATM 1803 C4 TSA X 501 -7.403 0.922 4.609 1.00 31.51 C HETATM 1804 O5 TSA X 501 -7.342 2.000 5.519 1.00 32.28 O HETATM 1805 C5 TSA X 501 -7.295 1.545 3.174 1.00 31.33 C HETATM 1806 C6 TSA X 501 -5.806 1.843 2.872 1.00 33.70 C HETATM 1807 O7 TSA X 501 -7.784 0.690 2.152 1.00 32.90 O HETATM 1808 C8 TSA X 501 -7.107 -0.477 1.682 1.00 33.66 C HETATM 1809 C9 TSA X 501 -5.591 -0.292 1.674 1.00 29.99 C HETATM 1810 C10 TSA X 501 -3.550 0.657 2.369 1.00 32.05 C HETATM 1811 O1 TSA X 501 -3.258 1.655 1.694 1.00 32.04 O HETATM 1812 O2 TSA X 501 -2.717 -0.225 2.651 1.00 32.31 O HETATM 1813 C11 TSA X 501 -7.485 -1.697 2.522 1.00 36.08 C HETATM 1814 O3 TSA X 501 -6.722 -2.675 2.666 1.00 36.14 O HETATM 1815 O4 TSA X 501 -8.604 -1.647 3.046 1.00 39.20 O HETATM 0 HO5 TSA X 501 -6.438 2.379 5.517 1.00 32.28 H new HETATM 0 H92 TSA X 501 -5.309 0.197 0.742 1.00 29.99 H new HETATM 0 H91 TSA X 501 -5.124 -1.277 1.672 1.00 29.99 H new HETATM 0 H8 TSA X 501 -7.427 -0.642 0.653 1.00 33.66 H new HETATM 0 H62 TSA X 501 -5.401 2.518 3.626 1.00 33.70 H new HETATM 0 H61 TSA X 501 -5.714 2.347 1.910 1.00 33.70 H new HETATM 0 H5 TSA X 501 -7.907 2.447 3.174 1.00 31.33 H new HETATM 0 H4 TSA X 501 -8.324 0.341 4.660 1.00 31.51 H new HETATM 0 H3 TSA X 501 -6.368 -0.680 5.799 1.00 33.06 H new HETATM 0 H2 TSA X 501 -4.205 -0.527 4.722 1.00 32.49 H new