USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 708 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 88 HIS : no HD1:sc= 1 K(o=4,f=-6.3!) USER MOD Set 1.2: A 89 HIS : +bothHN:sc= 1.84 K(o=4,f=-10!) USER MOD Set 1.3: A 91 HIS : no HE2:sc= 1.2 K(o=4,f=-1.6!) USER MOD Set 2.1: A 38 GLN :FLIP amide:sc= -0.332 F(o=-0.66!,f=0.092) USER MOD Set 2.2: A 43 ASN : amide:sc= 0.424 K(o=0.092,f=-6.3!) USER MOD Set 3.1: A 22 SER OG : rot -165:sc= 0.851 USER MOD Set 3.2: A 26 MET CE :methyl 180:sc= -0.172 (180deg=0) USER MOD Single : A 1 MET CE :methyl -153:sc= -0.225 (180deg=-0.248) USER MOD Single : A 1 MET N :NH3+ -151:sc= 0.958 (180deg=0.176) USER MOD Single : A 2 LYS NZ :NH3+ 166:sc= 1.01 (180deg=0.884) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot -163:sc= 0.795 USER MOD Single : A 11 ASN : amide:sc= -0.0173 K(o=-0.017,f=-1) USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 13 ASN : amide:sc= -0.0186 K(o=-0.019,f=-1.3) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 180:sc= -0.657 (180deg=-0.657) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= -0.123 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.463 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -23:sc= 0.191 USER MOD Single : A 31 TYR OH : rot 65:sc= 0.135 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -71:sc= 0.863 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= 0.208 K(o=0.21,f=-7.7!) USER MOD Single : A 58 MET CE :methyl -167:sc=-0.00869 (180deg=-0.223) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0.972 (180deg=0.972) USER MOD Single : A 67 ASN : amide:sc= -0.0491 K(o=-0.049,f=-1.3!) USER MOD Single : A 70 ASN : amide:sc=-0.00982 X(o=-0.0098,f=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 HIS : no HD1:sc= -0.142 X(o=-0.14,f=-0.0027) USER MOD Single : A 87 HIS : no HD1:sc= -0.0443 X(o=-0.044,f=-0.032) USER MOD Single : A 90 HIS : no HD1:sc= 0.602 K(o=0.6,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.959 1.398 3.023 1.00 50.00 N ATOM 2 CA MET A 1 -11.522 1.409 3.269 1.00 50.00 C ATOM 3 C MET A 1 -10.949 2.814 3.126 1.00 50.00 C ATOM 4 O MET A 1 -10.875 3.355 2.023 1.00 50.00 O ATOM 5 CB MET A 1 -10.815 0.451 2.313 1.00 50.00 C ATOM 6 CG MET A 1 -11.000 -1.023 2.648 1.00 50.00 C ATOM 7 SD MET A 1 -10.432 -2.112 1.328 1.00 75.00 S ATOM 8 CE MET A 1 -11.878 -2.149 0.275 1.00 75.00 C ATOM 0 H1 MET A 1 -13.399 0.630 3.569 1.00 50.00 H new ATOM 0 H2 MET A 1 -13.368 2.308 3.315 1.00 50.00 H new ATOM 0 H3 MET A 1 -13.137 1.248 2.009 1.00 50.00 H new ATOM 0 HA MET A 1 -11.353 1.078 4.294 1.00 50.00 H new ATOM 0 HB2 MET A 1 -11.181 0.630 1.302 1.00 50.00 H new ATOM 0 HB3 MET A 1 -9.749 0.680 2.311 1.00 50.00 H new ATOM 0 HG2 MET A 1 -10.456 -1.254 3.564 1.00 50.00 H new ATOM 0 HG3 MET A 1 -12.054 -1.217 2.846 1.00 50.00 H new ATOM 0 HE1 MET A 1 -11.898 -3.085 -0.283 1.00 75.00 H new ATOM 0 HE2 MET A 1 -12.776 -2.073 0.888 1.00 75.00 H new ATOM 0 HE3 MET A 1 -11.842 -1.312 -0.422 1.00 75.00 H new ATOM 20 N LYS A 2 -10.544 3.399 4.249 1.00 50.00 N ATOM 21 CA LYS A 2 -10.027 4.762 4.258 1.00 50.00 C ATOM 22 C LYS A 2 -8.812 4.885 5.168 1.00 50.00 C ATOM 23 O LYS A 2 -8.842 4.454 6.321 1.00 50.00 O ATOM 24 CB LYS A 2 -11.114 5.744 4.699 1.00 50.00 C ATOM 25 CG LYS A 2 -10.695 7.206 4.658 1.00 50.00 C ATOM 26 CD LYS A 2 -11.872 8.128 4.942 1.00 50.00 C ATOM 27 CE LYS A 2 -11.422 9.574 5.093 1.00 75.00 C ATOM 28 NZ LYS A 2 -12.575 10.506 5.216 1.00 75.00 N ATOM 0 H LYS A 2 -10.564 2.950 5.165 1.00 50.00 H new ATOM 0 HA LYS A 2 -9.718 5.007 3.242 1.00 50.00 H new ATOM 0 HB2 LYS A 2 -11.987 5.611 4.060 1.00 50.00 H new ATOM 0 HB3 LYS A 2 -11.421 5.495 5.715 1.00 50.00 H new ATOM 0 HG2 LYS A 2 -9.908 7.381 5.391 1.00 50.00 H new ATOM 0 HG3 LYS A 2 -10.276 7.439 3.679 1.00 50.00 H new ATOM 0 HD2 LYS A 2 -12.598 8.054 4.132 1.00 50.00 H new ATOM 0 HD3 LYS A 2 -12.377 7.806 5.853 1.00 50.00 H new ATOM 0 HE2 LYS A 2 -10.786 9.666 5.973 1.00 75.00 H new ATOM 0 HE3 LYS A 2 -10.817 9.857 4.232 1.00 75.00 H new ATOM 0 HZ1 LYS A 2 -12.239 11.432 5.550 1.00 75.00 H new ATOM 0 HZ2 LYS A 2 -13.031 10.618 4.288 1.00 75.00 H new ATOM 0 HZ3 LYS A 2 -13.262 10.121 5.895 1.00 75.00 H new ATOM 42 N ILE A 3 -7.743 5.474 4.642 1.00 50.00 N ATOM 43 CA ILE A 3 -6.506 5.634 5.398 1.00 50.00 C ATOM 44 C ILE A 3 -6.700 6.580 6.577 1.00 50.00 C ATOM 45 O ILE A 3 -7.512 7.503 6.517 1.00 50.00 O ATOM 46 CB ILE A 3 -5.366 6.161 4.510 1.00 50.00 C ATOM 47 CG1 ILE A 3 -4.022 6.026 5.232 1.00 50.00 C ATOM 48 CG2 ILE A 3 -5.620 7.610 4.121 1.00 50.00 C ATOM 49 CD1 ILE A 3 -2.824 6.266 4.341 1.00 50.00 C ATOM 0 H ILE A 3 -7.708 5.849 3.694 1.00 50.00 H new ATOM 0 HA ILE A 3 -6.235 4.646 5.771 1.00 50.00 H new ATOM 0 HB ILE A 3 -5.331 5.562 3.600 1.00 50.00 H new ATOM 0 HG12 ILE A 3 -3.993 6.732 6.062 1.00 50.00 H new ATOM 0 HG13 ILE A 3 -3.949 5.027 5.661 1.00 50.00 H new ATOM 0 HG21 ILE A 3 -4.804 7.967 3.493 1.00 50.00 H new ATOM 0 HG22 ILE A 3 -6.558 7.680 3.571 1.00 50.00 H new ATOM 0 HG23 ILE A 3 -5.680 8.223 5.020 1.00 50.00 H new ATOM 0 HD11 ILE A 3 -1.909 6.153 4.923 1.00 50.00 H new ATOM 0 HD12 ILE A 3 -2.827 5.543 3.525 1.00 50.00 H new ATOM 0 HD13 ILE A 3 -2.871 7.275 3.932 1.00 50.00 H new ATOM 61 N ILE A 4 -5.949 6.344 7.647 1.00 10.00 N ATOM 62 CA ILE A 4 -5.957 7.236 8.801 1.00 10.00 C ATOM 63 C ILE A 4 -4.607 7.917 8.979 1.00 10.00 C ATOM 64 O ILE A 4 -4.535 9.122 9.217 1.00 50.00 O ATOM 65 CB ILE A 4 -6.318 6.484 10.095 1.00 50.00 C ATOM 66 CG1 ILE A 4 -7.719 5.876 9.986 1.00 50.00 C ATOM 67 CG2 ILE A 4 -6.231 7.416 11.294 1.00 50.00 C ATOM 68 CD1 ILE A 4 -8.070 4.942 11.121 1.00 50.00 C ATOM 0 H ILE A 4 -5.326 5.542 7.739 1.00 10.00 H new ATOM 0 HA ILE A 4 -6.719 7.992 8.609 1.00 10.00 H new ATOM 0 HB ILE A 4 -5.602 5.675 10.237 1.00 50.00 H new ATOM 0 HG12 ILE A 4 -8.452 6.682 9.951 1.00 50.00 H new ATOM 0 HG13 ILE A 4 -7.797 5.333 9.044 1.00 50.00 H new ATOM 0 HG21 ILE A 4 -6.489 6.868 12.200 1.00 50.00 H new ATOM 0 HG22 ILE A 4 -5.216 7.803 11.381 1.00 50.00 H new ATOM 0 HG23 ILE A 4 -6.925 8.246 11.161 1.00 50.00 H new ATOM 0 HD11 ILE A 4 -9.077 4.552 10.973 1.00 50.00 H new ATOM 0 HD12 ILE A 4 -7.360 4.115 11.144 1.00 50.00 H new ATOM 0 HD13 ILE A 4 -8.026 5.484 12.065 1.00 50.00 H new ATOM 80 N SER A 5 -3.538 7.137 8.866 1.00 10.00 N ATOM 81 CA SER A 5 -2.185 7.664 9.016 1.00 10.00 C ATOM 82 C SER A 5 -1.153 6.698 8.448 1.00 10.00 C ATOM 83 O SER A 5 -1.461 5.543 8.159 1.00 50.00 O ATOM 84 CB SER A 5 -1.895 7.948 10.476 1.00 50.00 C ATOM 85 OG SER A 5 -1.843 6.774 11.241 1.00 50.00 O ATOM 0 H SER A 5 -3.581 6.137 8.671 1.00 10.00 H new ATOM 0 HA SER A 5 -2.118 8.595 8.454 1.00 10.00 H new ATOM 0 HB2 SER A 5 -0.946 8.478 10.560 1.00 50.00 H new ATOM 0 HB3 SER A 5 -2.665 8.608 10.877 1.00 50.00 H new ATOM 0 HG SER A 5 -1.652 7.000 12.175 1.00 50.00 H new ATOM 91 N ILE A 6 0.076 7.180 8.288 1.00 10.00 N ATOM 92 CA ILE A 6 1.183 6.332 7.866 1.00 10.00 C ATOM 93 C ILE A 6 2.176 6.115 9.002 1.00 10.00 C ATOM 94 O ILE A 6 2.702 7.073 9.568 1.00 50.00 O ATOM 95 CB ILE A 6 1.925 6.930 6.656 1.00 50.00 C ATOM 96 CG1 ILE A 6 0.992 7.010 5.446 1.00 50.00 C ATOM 97 CG2 ILE A 6 3.159 6.104 6.328 1.00 50.00 C ATOM 98 CD1 ILE A 6 0.356 8.368 5.253 1.00 50.00 C ATOM 0 H ILE A 6 0.329 8.155 8.445 1.00 10.00 H new ATOM 0 HA ILE A 6 0.751 5.374 7.577 1.00 10.00 H new ATOM 0 HB ILE A 6 2.247 7.940 6.910 1.00 50.00 H new ATOM 0 HG12 ILE A 6 1.554 6.752 4.548 1.00 50.00 H new ATOM 0 HG13 ILE A 6 0.206 6.263 5.556 1.00 50.00 H new ATOM 0 HG21 ILE A 6 3.672 6.540 5.471 1.00 50.00 H new ATOM 0 HG22 ILE A 6 3.830 6.096 7.187 1.00 50.00 H new ATOM 0 HG23 ILE A 6 2.861 5.083 6.091 1.00 50.00 H new ATOM 0 HD11 ILE A 6 -0.291 8.345 4.376 1.00 50.00 H new ATOM 0 HD12 ILE A 6 -0.235 8.622 6.133 1.00 50.00 H new ATOM 0 HD13 ILE A 6 1.135 9.117 5.110 1.00 50.00 H new ATOM 110 N SER A 7 2.425 4.853 9.331 1.00 10.00 N ATOM 111 CA SER A 7 3.312 4.510 10.434 1.00 10.00 C ATOM 112 C SER A 7 4.658 4.009 9.923 1.00 10.00 C ATOM 113 O SER A 7 4.725 3.290 8.927 1.00 50.00 O ATOM 114 CB SER A 7 2.664 3.465 11.322 1.00 50.00 C ATOM 115 OG SER A 7 3.539 3.000 12.313 1.00 50.00 O ATOM 0 H SER A 7 2.024 4.049 8.848 1.00 10.00 H new ATOM 0 HA SER A 7 3.489 5.412 11.019 1.00 10.00 H new ATOM 0 HB2 SER A 7 1.777 3.889 11.792 1.00 50.00 H new ATOM 0 HB3 SER A 7 2.331 2.626 10.711 1.00 50.00 H new ATOM 0 HG SER A 7 3.083 2.330 12.864 1.00 50.00 H new ATOM 121 N GLU A 8 5.727 4.394 10.611 1.00 10.00 N ATOM 122 CA GLU A 8 7.058 3.884 10.306 1.00 50.00 C ATOM 123 C GLU A 8 7.241 2.470 10.841 1.00 10.00 C ATOM 124 O GLU A 8 6.486 2.018 11.702 1.00 50.00 O ATOM 125 CB GLU A 8 8.132 4.808 10.886 1.00 50.00 C ATOM 126 CG GLU A 8 8.139 6.210 10.296 1.00 50.00 C ATOM 127 CD GLU A 8 9.252 7.039 10.873 1.00 50.00 C ATOM 128 OE1 GLU A 8 9.930 6.562 11.752 1.00 50.00 O ATOM 129 OE2 GLU A 8 9.499 8.106 10.361 1.00 50.00 O ATOM 0 H GLU A 8 5.697 5.058 11.384 1.00 10.00 H new ATOM 0 HA GLU A 8 7.164 3.855 9.222 1.00 50.00 H new ATOM 0 HB2 GLU A 8 7.988 4.881 11.964 1.00 50.00 H new ATOM 0 HB3 GLU A 8 9.110 4.354 10.725 1.00 50.00 H new ATOM 0 HG2 GLU A 8 8.250 6.151 9.213 1.00 50.00 H new ATOM 0 HG3 GLU A 8 7.182 6.694 10.492 1.00 50.00 H new ATOM 136 N THR A 9 8.248 1.772 10.324 1.00 50.00 N ATOM 137 CA THR A 9 8.466 0.373 10.667 1.00 10.00 C ATOM 138 C THR A 9 9.946 0.082 10.885 1.00 10.00 C ATOM 139 O THR A 9 10.806 0.865 10.484 1.00 50.00 O ATOM 140 CB THR A 9 7.925 -0.567 9.575 1.00 50.00 C ATOM 141 OG1 THR A 9 8.635 -0.342 8.351 1.00 50.00 O ATOM 142 CG2 THR A 9 6.441 -0.322 9.346 1.00 50.00 C ATOM 0 H THR A 9 8.926 2.154 9.665 1.00 50.00 H new ATOM 0 HA THR A 9 7.923 0.190 11.594 1.00 10.00 H new ATOM 0 HB THR A 9 8.067 -1.597 9.902 1.00 50.00 H new ATOM 0 HG1 THR A 9 8.131 -0.729 7.605 1.00 50.00 H new ATOM 0 HG21 THR A 9 6.076 -0.996 8.571 1.00 50.00 H new ATOM 0 HG22 THR A 9 5.895 -0.505 10.272 1.00 50.00 H new ATOM 0 HG23 THR A 9 6.287 0.710 9.032 1.00 50.00 H new ATOM 150 N PRO A 10 10.234 -1.046 11.524 1.00 50.00 N ATOM 151 CA PRO A 10 11.609 -1.503 11.689 1.00 50.00 C ATOM 152 C PRO A 10 12.313 -1.628 10.344 1.00 50.00 C ATOM 153 O PRO A 10 13.534 -1.495 10.257 1.00 50.00 O ATOM 154 CB PRO A 10 11.471 -2.854 12.396 1.00 50.00 C ATOM 155 CG PRO A 10 10.137 -2.794 13.056 1.00 50.00 C ATOM 156 CD PRO A 10 9.268 -1.989 12.128 1.00 50.00 C ATOM 0 HA PRO A 10 12.221 -0.806 12.261 1.00 50.00 H new ATOM 0 HB2 PRO A 10 11.527 -3.680 11.687 1.00 50.00 H new ATOM 0 HB3 PRO A 10 12.268 -3.004 13.124 1.00 50.00 H new ATOM 0 HG2 PRO A 10 9.729 -3.793 13.209 1.00 50.00 H new ATOM 0 HG3 PRO A 10 10.205 -2.324 14.037 1.00 50.00 H new ATOM 0 HD2 PRO A 10 8.788 -2.615 11.376 1.00 50.00 H new ATOM 0 HD3 PRO A 10 8.474 -1.469 12.664 1.00 50.00 H new ATOM 164 N ASN A 11 11.537 -1.882 9.295 1.00 50.00 N ATOM 165 CA ASN A 11 12.084 -2.008 7.951 1.00 50.00 C ATOM 166 C ASN A 11 12.005 -0.685 7.199 1.00 50.00 C ATOM 167 O ASN A 11 11.179 0.171 7.514 1.00 50.00 O ATOM 168 CB ASN A 11 11.380 -3.100 7.166 1.00 50.00 C ATOM 169 CG ASN A 11 11.661 -4.487 7.673 1.00 50.00 C ATOM 170 OD1 ASN A 11 12.716 -4.753 8.262 1.00 75.00 O ATOM 171 ND2 ASN A 11 10.761 -5.391 7.377 1.00 50.00 N ATOM 0 H ASN A 11 10.526 -2.005 9.351 1.00 50.00 H new ATOM 0 HA ASN A 11 13.133 -2.285 8.054 1.00 50.00 H new ATOM 0 HB2 ASN A 11 10.305 -2.922 7.198 1.00 50.00 H new ATOM 0 HB3 ASN A 11 11.683 -3.037 6.121 1.00 50.00 H new ATOM 0 HD21 ASN A 11 10.914 -6.366 7.634 1.00 50.00 H new ATOM 0 HD22 ASN A 11 9.907 -5.120 6.890 1.00 50.00 H new ATOM 178 N HIS A 12 12.868 -0.525 6.201 1.00 50.00 N ATOM 179 CA HIS A 12 12.971 0.732 5.472 1.00 50.00 C ATOM 180 C HIS A 12 12.132 0.703 4.201 1.00 50.00 C ATOM 181 O HIS A 12 11.347 1.616 3.943 1.00 50.00 O ATOM 182 CB HIS A 12 14.431 1.040 5.128 1.00 50.00 C ATOM 183 CG HIS A 12 14.621 2.344 4.418 1.00 50.00 C ATOM 184 ND1 HIS A 12 14.486 3.561 5.051 1.00 75.00 N ATOM 185 CD2 HIS A 12 14.932 2.622 3.130 1.00 50.00 C ATOM 186 CE1 HIS A 12 14.708 4.533 4.182 1.00 75.00 C ATOM 187 NE2 HIS A 12 14.981 3.989 3.011 1.00 75.00 N ATOM 0 H HIS A 12 13.507 -1.252 5.879 1.00 50.00 H new ATOM 0 HA HIS A 12 12.587 1.520 6.119 1.00 50.00 H new ATOM 0 HB2 HIS A 12 15.017 1.048 6.047 1.00 50.00 H new ATOM 0 HB3 HIS A 12 14.825 0.237 4.505 1.00 50.00 H new ATOM 0 HD2 HIS A 12 15.108 1.903 2.344 1.00 50.00 H new ATOM 0 HE1 HIS A 12 14.672 5.591 4.394 1.00 75.00 H new ATOM 0 HE2 HIS A 12 15.194 4.502 2.155 1.00 75.00 H new ATOM 195 N ASN A 13 12.300 -0.349 3.410 1.00 10.00 N ATOM 196 CA ASN A 13 11.740 -0.395 2.064 1.00 10.00 C ATOM 197 C ASN A 13 10.231 -0.602 2.103 1.00 10.00 C ATOM 198 O ASN A 13 9.544 -0.408 1.102 1.00 50.00 O ATOM 199 CB ASN A 13 12.397 -1.477 1.227 1.00 50.00 C ATOM 200 CG ASN A 13 13.800 -1.145 0.802 1.00 50.00 C ATOM 201 OD1 ASN A 13 14.247 0.002 0.905 1.00 50.00 O ATOM 202 ND2 ASN A 13 14.470 -2.124 0.251 1.00 50.00 N ATOM 0 H ASN A 13 12.821 -1.184 3.678 1.00 10.00 H new ATOM 0 HA ASN A 13 11.944 0.568 1.596 1.00 10.00 H new ATOM 0 HB2 ASN A 13 12.410 -2.407 1.796 1.00 50.00 H new ATOM 0 HB3 ASN A 13 11.791 -1.655 0.339 1.00 50.00 H new ATOM 0 HD21 ASN A 13 15.406 -1.957 -0.118 1.00 50.00 H new ATOM 0 HD22 ASN A 13 14.056 -3.054 0.190 1.00 50.00 H new ATOM 209 N THR A 14 9.723 -0.997 3.265 1.00 10.00 N ATOM 210 CA THR A 14 8.291 -1.205 3.444 1.00 10.00 C ATOM 211 C THR A 14 7.797 -0.561 4.733 1.00 10.00 C ATOM 212 O THR A 14 8.476 -0.605 5.759 1.00 50.00 O ATOM 213 CB THR A 14 7.934 -2.703 3.462 1.00 50.00 C ATOM 214 OG1 THR A 14 6.523 -2.859 3.659 1.00 50.00 O ATOM 215 CG2 THR A 14 8.681 -3.415 4.581 1.00 50.00 C ATOM 0 H THR A 14 10.282 -1.180 4.098 1.00 10.00 H new ATOM 0 HA THR A 14 7.798 -0.734 2.594 1.00 10.00 H new ATOM 0 HB THR A 14 8.224 -3.142 2.508 1.00 50.00 H new ATOM 0 HG1 THR A 14 6.298 -3.813 3.669 1.00 50.00 H new ATOM 0 HG21 THR A 14 8.417 -4.473 4.579 1.00 50.00 H new ATOM 0 HG22 THR A 14 9.755 -3.309 4.427 1.00 50.00 H new ATOM 0 HG23 THR A 14 8.407 -2.974 5.539 1.00 50.00 H new ATOM 223 N MET A 15 6.613 0.037 4.674 1.00 10.00 N ATOM 224 CA MET A 15 6.060 0.757 5.814 1.00 10.00 C ATOM 225 C MET A 15 4.651 0.280 6.138 1.00 10.00 C ATOM 226 O MET A 15 4.070 -0.517 5.402 1.00 50.00 O ATOM 227 CB MET A 15 6.059 2.259 5.538 1.00 50.00 C ATOM 228 CG MET A 15 7.444 2.886 5.463 1.00 50.00 C ATOM 229 SD MET A 15 7.388 4.654 5.103 1.00 50.00 S ATOM 230 CE MET A 15 6.739 5.292 6.645 1.00 50.00 C ATOM 0 H MET A 15 6.016 0.037 3.847 1.00 10.00 H new ATOM 0 HA MET A 15 6.691 0.554 6.679 1.00 10.00 H new ATOM 0 HB2 MET A 15 5.539 2.443 4.598 1.00 50.00 H new ATOM 0 HB3 MET A 15 5.489 2.759 6.321 1.00 50.00 H new ATOM 0 HG2 MET A 15 7.962 2.728 6.409 1.00 50.00 H new ATOM 0 HG3 MET A 15 8.026 2.380 4.693 1.00 50.00 H new ATOM 0 HE1 MET A 15 6.646 6.376 6.580 1.00 50.00 H new ATOM 0 HE2 MET A 15 5.759 4.855 6.836 1.00 50.00 H new ATOM 0 HE3 MET A 15 7.416 5.034 7.459 1.00 50.00 H new ATOM 240 N LYS A 16 4.103 0.773 7.243 1.00 10.00 N ATOM 241 CA LYS A 16 2.788 0.344 7.705 1.00 10.00 C ATOM 242 C LYS A 16 1.742 1.424 7.467 1.00 10.00 C ATOM 243 O LYS A 16 1.941 2.585 7.830 1.00 50.00 O ATOM 244 CB LYS A 16 2.836 -0.025 9.188 1.00 50.00 C ATOM 245 CG LYS A 16 1.487 -0.398 9.787 1.00 50.00 C ATOM 246 CD LYS A 16 1.596 -0.648 11.283 1.00 50.00 C ATOM 247 CE LYS A 16 0.227 -0.887 11.906 1.00 50.00 C ATOM 248 NZ LYS A 16 0.319 -1.145 13.369 1.00 50.00 N ATOM 0 H LYS A 16 4.550 1.472 7.837 1.00 10.00 H new ATOM 0 HA LYS A 16 2.504 -0.538 7.131 1.00 10.00 H new ATOM 0 HB2 LYS A 16 3.522 -0.862 9.320 1.00 50.00 H new ATOM 0 HB3 LYS A 16 3.248 0.816 9.746 1.00 50.00 H new ATOM 0 HG2 LYS A 16 0.771 0.402 9.601 1.00 50.00 H new ATOM 0 HG3 LYS A 16 1.102 -1.291 9.294 1.00 50.00 H new ATOM 0 HD2 LYS A 16 2.236 -1.512 11.464 1.00 50.00 H new ATOM 0 HD3 LYS A 16 2.072 0.207 11.763 1.00 50.00 H new ATOM 0 HE2 LYS A 16 -0.408 -0.019 11.730 1.00 50.00 H new ATOM 0 HE3 LYS A 16 -0.251 -1.736 11.417 1.00 50.00 H new ATOM 0 HZ1 LYS A 16 -0.634 -1.303 13.754 1.00 50.00 H new ATOM 0 HZ2 LYS A 16 0.904 -1.988 13.537 1.00 50.00 H new ATOM 0 HZ3 LYS A 16 0.751 -0.325 13.840 1.00 50.00 H new ATOM 262 N ILE A 17 0.628 1.037 6.857 1.00 10.00 N ATOM 263 CA ILE A 17 -0.476 1.961 6.617 1.00 10.00 C ATOM 264 C ILE A 17 -1.683 1.611 7.477 1.00 10.00 C ATOM 265 O ILE A 17 -2.146 0.470 7.481 1.00 50.00 O ATOM 266 CB ILE A 17 -0.896 1.966 5.137 1.00 50.00 C ATOM 267 CG1 ILE A 17 0.296 2.325 4.244 1.00 50.00 C ATOM 268 CG2 ILE A 17 -2.044 2.937 4.912 1.00 50.00 C ATOM 269 CD1 ILE A 17 0.867 3.699 4.512 1.00 50.00 C ATOM 0 H ILE A 17 0.464 0.089 6.519 1.00 10.00 H new ATOM 0 HA ILE A 17 -0.119 2.955 6.886 1.00 10.00 H new ATOM 0 HB ILE A 17 -1.236 0.965 4.871 1.00 50.00 H new ATOM 0 HG12 ILE A 17 1.081 1.582 4.385 1.00 50.00 H new ATOM 0 HG13 ILE A 17 -0.013 2.268 3.200 1.00 50.00 H new ATOM 0 HG21 ILE A 17 -2.328 2.927 3.860 1.00 50.00 H new ATOM 0 HG22 ILE A 17 -2.898 2.639 5.521 1.00 50.00 H new ATOM 0 HG23 ILE A 17 -1.731 3.942 5.194 1.00 50.00 H new ATOM 0 HD11 ILE A 17 1.707 3.881 3.842 1.00 50.00 H new ATOM 0 HD12 ILE A 17 0.098 4.452 4.342 1.00 50.00 H new ATOM 0 HD13 ILE A 17 1.209 3.756 5.546 1.00 50.00 H new ATOM 281 N THR A 18 -2.189 2.600 8.206 1.00 10.00 N ATOM 282 CA THR A 18 -3.343 2.398 9.074 1.00 10.00 C ATOM 283 C THR A 18 -4.637 2.791 8.373 1.00 10.00 C ATOM 284 O THR A 18 -4.743 3.882 7.811 1.00 50.00 O ATOM 285 CB THR A 18 -3.215 3.203 10.382 1.00 50.00 C ATOM 286 OG1 THR A 18 -2.060 2.761 11.106 1.00 50.00 O ATOM 287 CG2 THR A 18 -4.453 3.019 11.245 1.00 50.00 C ATOM 0 H THR A 18 -1.818 3.550 8.213 1.00 10.00 H new ATOM 0 HA THR A 18 -3.372 1.335 9.313 1.00 10.00 H new ATOM 0 HB THR A 18 -3.114 4.259 10.133 1.00 50.00 H new ATOM 0 HG1 THR A 18 -1.978 3.275 11.937 1.00 50.00 H new ATOM 0 HG21 THR A 18 -4.345 3.595 12.164 1.00 50.00 H new ATOM 0 HG22 THR A 18 -5.331 3.367 10.701 1.00 50.00 H new ATOM 0 HG23 THR A 18 -4.572 1.964 11.490 1.00 50.00 H new ATOM 295 N LEU A 19 -5.620 1.898 8.410 1.00 10.00 N ATOM 296 CA LEU A 19 -6.905 2.145 7.766 1.00 50.00 C ATOM 297 C LEU A 19 -8.058 1.917 8.734 1.00 10.00 C ATOM 298 O LEU A 19 -7.931 1.165 9.700 1.00 50.00 O ATOM 299 CB LEU A 19 -7.059 1.251 6.530 1.00 50.00 C ATOM 300 CG LEU A 19 -6.117 1.578 5.365 1.00 50.00 C ATOM 301 CD1 LEU A 19 -4.880 0.692 5.430 1.00 50.00 C ATOM 302 CD2 LEU A 19 -6.851 1.384 4.046 1.00 50.00 C ATOM 0 H LEU A 19 -5.551 0.995 8.880 1.00 10.00 H new ATOM 0 HA LEU A 19 -6.932 3.189 7.452 1.00 50.00 H new ATOM 0 HB2 LEU A 19 -6.896 0.215 6.828 1.00 50.00 H new ATOM 0 HB3 LEU A 19 -8.087 1.323 6.176 1.00 50.00 H new ATOM 0 HG LEU A 19 -5.797 2.617 5.437 1.00 50.00 H new ATOM 0 HD11 LEU A 19 -4.217 0.931 4.599 1.00 50.00 H new ATOM 0 HD12 LEU A 19 -4.358 0.864 6.371 1.00 50.00 H new ATOM 0 HD13 LEU A 19 -5.178 -0.354 5.366 1.00 50.00 H new ATOM 0 HD21 LEU A 19 -6.180 1.617 3.219 1.00 50.00 H new ATOM 0 HD22 LEU A 19 -7.184 0.349 3.963 1.00 50.00 H new ATOM 0 HD23 LEU A 19 -7.715 2.047 4.010 1.00 50.00 H new ATOM 314 N SER A 20 -9.185 2.570 8.468 1.00 10.00 N ATOM 315 CA SER A 20 -10.358 2.453 9.325 1.00 10.00 C ATOM 316 C SER A 20 -11.170 1.210 8.981 1.00 50.00 C ATOM 317 O SER A 20 -11.481 0.398 9.852 1.00 50.00 O ATOM 318 CB SER A 20 -11.219 3.696 9.205 1.00 50.00 C ATOM 319 OG SER A 20 -11.714 3.869 7.906 1.00 50.00 O ATOM 0 H SER A 20 -9.310 3.186 7.665 1.00 10.00 H new ATOM 0 HA SER A 20 -10.017 2.356 10.356 1.00 10.00 H new ATOM 0 HB2 SER A 20 -12.052 3.628 9.904 1.00 50.00 H new ATOM 0 HB3 SER A 20 -10.634 4.571 9.489 1.00 50.00 H new ATOM 0 HG SER A 20 -12.264 4.679 7.871 1.00 50.00 H new ATOM 325 N GLU A 21 -11.510 1.067 7.705 1.00 50.00 N ATOM 326 CA GLU A 21 -12.241 -0.104 7.233 1.00 50.00 C ATOM 327 C GLU A 21 -11.364 -0.979 6.346 1.00 75.00 C ATOM 328 O GLU A 21 -10.363 -0.519 5.798 1.00 75.00 O ATOM 329 CB GLU A 21 -13.499 0.321 6.473 1.00 50.00 C ATOM 330 CG GLU A 21 -14.539 1.033 7.327 1.00 50.00 C ATOM 331 CD GLU A 21 -15.764 1.373 6.525 1.00 75.00 C ATOM 332 OE1 GLU A 21 -15.782 1.086 5.351 1.00 75.00 O ATOM 333 OE2 GLU A 21 -16.726 1.817 7.105 1.00 75.00 O ATOM 0 H GLU A 21 -11.291 1.748 6.978 1.00 50.00 H new ATOM 0 HA GLU A 21 -12.535 -0.688 8.105 1.00 50.00 H new ATOM 0 HB2 GLU A 21 -13.209 0.978 5.653 1.00 50.00 H new ATOM 0 HB3 GLU A 21 -13.956 -0.563 6.028 1.00 50.00 H new ATOM 0 HG2 GLU A 21 -14.817 0.399 8.169 1.00 50.00 H new ATOM 0 HG3 GLU A 21 -14.109 1.944 7.743 1.00 50.00 H new ATOM 340 N SER A 22 -11.748 -2.243 6.210 1.00 75.00 N ATOM 341 CA SER A 22 -10.994 -3.189 5.397 1.00 75.00 C ATOM 342 C SER A 22 -11.866 -3.795 4.305 1.00 75.00 C ATOM 343 O SER A 22 -12.966 -3.311 4.037 1.00 75.00 O ATOM 344 CB SER A 22 -10.409 -4.281 6.271 1.00 75.00 C ATOM 345 OG SER A 22 -11.390 -5.171 6.728 1.00 75.00 O ATOM 0 H SER A 22 -12.578 -2.637 6.653 1.00 75.00 H new ATOM 0 HA SER A 22 -10.181 -2.647 4.915 1.00 75.00 H new ATOM 0 HB2 SER A 22 -9.655 -4.831 5.708 1.00 75.00 H new ATOM 0 HB3 SER A 22 -9.903 -3.830 7.125 1.00 75.00 H new ATOM 0 HG SER A 22 -11.028 -5.706 7.465 1.00 75.00 H new ATOM 351 N ARG A 23 -11.369 -4.855 3.677 1.00 75.00 N ATOM 352 CA ARG A 23 -12.214 -5.744 2.888 1.00 75.00 C ATOM 353 C ARG A 23 -13.333 -6.336 3.735 1.00 75.00 C ATOM 354 O ARG A 23 -13.372 -6.146 4.951 1.00 75.00 O ATOM 355 CB ARG A 23 -11.409 -6.830 2.190 1.00 75.00 C ATOM 356 CG ARG A 23 -10.281 -6.322 1.306 1.00 75.00 C ATOM 357 CD ARG A 23 -9.462 -7.394 0.682 1.00 75.00 C ATOM 358 NE ARG A 23 -8.712 -8.206 1.627 1.00 75.00 N ATOM 359 CZ ARG A 23 -9.048 -9.459 1.993 1.00 75.00 C ATOM 360 NH1 ARG A 23 -10.136 -10.032 1.530 1.00 75.00 N ATOM 361 NH2 ARG A 23 -8.265 -10.089 2.852 1.00 75.00 N ATOM 0 H ARG A 23 -10.384 -5.120 3.699 1.00 75.00 H new ATOM 0 HA ARG A 23 -12.672 -5.140 2.105 1.00 75.00 H new ATOM 0 HB2 ARG A 23 -10.988 -7.493 2.946 1.00 75.00 H new ATOM 0 HB3 ARG A 23 -12.086 -7.430 1.582 1.00 75.00 H new ATOM 0 HG2 ARG A 23 -10.705 -5.700 0.518 1.00 75.00 H new ATOM 0 HG3 ARG A 23 -9.629 -5.683 1.901 1.00 75.00 H new ATOM 0 HD2 ARG A 23 -10.118 -8.045 0.103 1.00 75.00 H new ATOM 0 HD3 ARG A 23 -8.764 -6.938 -0.021 1.00 75.00 H new ATOM 0 HE ARG A 23 -7.874 -7.799 2.042 1.00 75.00 H new ATOM 0 HH11 ARG A 23 -10.742 -9.528 0.883 1.00 75.00 H new ATOM 0 HH12 ARG A 23 -10.375 -10.981 1.818 1.00 75.00 H new ATOM 0 HH21 ARG A 23 -7.433 -9.626 3.218 1.00 75.00 H new ATOM 0 HH22 ARG A 23 -8.493 -11.038 3.148 1.00 75.00 H new ATOM 375 N GLU A 24 -14.242 -7.055 3.086 1.00 75.00 N ATOM 376 CA GLU A 24 -15.413 -7.601 3.762 1.00 75.00 C ATOM 377 C GLU A 24 -15.056 -8.119 5.148 1.00 75.00 C ATOM 378 O GLU A 24 -15.733 -7.812 6.130 1.00 75.00 O ATOM 379 CB GLU A 24 -16.041 -8.720 2.928 1.00 75.00 C ATOM 380 CG GLU A 24 -17.306 -9.318 3.527 1.00 75.00 C ATOM 381 CD GLU A 24 -17.876 -10.390 2.642 1.00 75.00 C ATOM 382 OE1 GLU A 24 -17.291 -10.664 1.620 1.00 75.00 O ATOM 383 OE2 GLU A 24 -18.833 -11.012 3.037 1.00 75.00 O ATOM 0 H GLU A 24 -14.190 -7.274 2.091 1.00 75.00 H new ATOM 0 HA GLU A 24 -16.138 -6.795 3.875 1.00 75.00 H new ATOM 0 HB2 GLU A 24 -16.272 -8.331 1.936 1.00 75.00 H new ATOM 0 HB3 GLU A 24 -15.306 -9.514 2.796 1.00 75.00 H new ATOM 0 HG2 GLU A 24 -17.084 -9.735 4.509 1.00 75.00 H new ATOM 0 HG3 GLU A 24 -18.047 -8.533 3.674 1.00 75.00 H new ATOM 390 N GLY A 25 -13.988 -8.908 5.225 1.00 75.00 N ATOM 391 CA GLY A 25 -13.488 -9.398 6.502 1.00 75.00 C ATOM 392 C GLY A 25 -12.108 -8.831 6.808 1.00 50.00 C ATOM 393 O GLY A 25 -11.531 -8.105 5.997 1.00 75.00 O ATOM 0 H GLY A 25 -13.453 -9.221 4.415 1.00 75.00 H new ATOM 0 HA2 GLY A 25 -14.181 -9.123 7.297 1.00 75.00 H new ATOM 0 HA3 GLY A 25 -13.441 -10.487 6.483 1.00 75.00 H new ATOM 397 N MET A 26 -11.584 -9.163 7.983 1.00 50.00 N ATOM 398 CA MET A 26 -10.247 -8.733 8.374 1.00 50.00 C ATOM 399 C MET A 26 -9.224 -9.838 8.140 1.00 50.00 C ATOM 400 O MET A 26 -8.322 -10.045 8.952 1.00 50.00 O ATOM 401 CB MET A 26 -10.236 -8.308 9.840 1.00 50.00 C ATOM 402 CG MET A 26 -11.083 -7.078 10.143 1.00 50.00 C ATOM 403 SD MET A 26 -10.444 -5.584 9.361 1.00 50.00 S ATOM 404 CE MET A 26 -11.836 -4.476 9.561 1.00 50.00 C ATOM 0 H MET A 26 -12.066 -9.729 8.682 1.00 50.00 H new ATOM 0 HA MET A 26 -9.972 -7.880 7.754 1.00 50.00 H new ATOM 0 HB2 MET A 26 -10.592 -9.139 10.450 1.00 50.00 H new ATOM 0 HB3 MET A 26 -9.207 -8.109 10.141 1.00 50.00 H new ATOM 0 HG2 MET A 26 -12.104 -7.252 9.804 1.00 50.00 H new ATOM 0 HG3 MET A 26 -11.126 -6.928 11.222 1.00 50.00 H new ATOM 0 HE1 MET A 26 -11.595 -3.506 9.126 1.00 50.00 H new ATOM 0 HE2 MET A 26 -12.708 -4.893 9.057 1.00 50.00 H new ATOM 0 HE3 MET A 26 -12.054 -4.353 10.622 1.00 50.00 H new ATOM 414 N THR A 27 -9.367 -10.544 7.023 1.00 50.00 N ATOM 415 CA THR A 27 -8.422 -11.590 6.650 1.00 50.00 C ATOM 416 C THR A 27 -7.224 -11.010 5.911 1.00 50.00 C ATOM 417 O THR A 27 -7.258 -9.869 5.452 1.00 50.00 O ATOM 418 CB THR A 27 -9.087 -12.665 5.769 1.00 50.00 C ATOM 419 OG1 THR A 27 -9.513 -12.077 4.535 1.00 50.00 O ATOM 420 CG2 THR A 27 -10.287 -13.269 6.480 1.00 75.00 C ATOM 0 H THR A 27 -10.130 -10.410 6.359 1.00 50.00 H new ATOM 0 HA THR A 27 -8.083 -12.053 7.577 1.00 50.00 H new ATOM 0 HB THR A 27 -8.360 -13.453 5.572 1.00 50.00 H new ATOM 0 HG1 THR A 27 -9.934 -12.762 3.975 1.00 50.00 H new ATOM 0 HG21 THR A 27 -10.744 -14.026 5.843 1.00 75.00 H new ATOM 0 HG22 THR A 27 -9.963 -13.728 7.414 1.00 75.00 H new ATOM 0 HG23 THR A 27 -11.015 -12.487 6.693 1.00 75.00 H new ATOM 428 N SER A 28 -6.164 -11.805 5.797 1.00 10.00 N ATOM 429 CA SER A 28 -4.944 -11.364 5.132 1.00 10.00 C ATOM 430 C SER A 28 -4.996 -11.650 3.639 1.00 10.00 C ATOM 431 O SER A 28 -5.777 -12.486 3.183 1.00 50.00 O ATOM 432 CB SER A 28 -3.737 -12.036 5.758 1.00 50.00 C ATOM 433 OG SER A 28 -3.731 -13.420 5.535 1.00 50.00 O ATOM 0 H SER A 28 -6.126 -12.759 6.157 1.00 10.00 H new ATOM 0 HA SER A 28 -4.857 -10.285 5.262 1.00 10.00 H new ATOM 0 HB2 SER A 28 -2.826 -11.599 5.349 1.00 50.00 H new ATOM 0 HB3 SER A 28 -3.730 -11.842 6.831 1.00 50.00 H new ATOM 0 HG SER A 28 -2.937 -13.815 5.952 1.00 50.00 H new ATOM 439 N ASP A 29 -4.158 -10.953 2.877 1.00 10.00 N ATOM 440 CA ASP A 29 -4.063 -11.174 1.439 1.00 10.00 C ATOM 441 C ASP A 29 -2.814 -10.523 0.863 1.00 10.00 C ATOM 442 O ASP A 29 -2.287 -9.563 1.425 1.00 50.00 O ATOM 443 CB ASP A 29 -5.311 -10.638 0.731 1.00 50.00 C ATOM 444 CG ASP A 29 -5.564 -11.248 -0.639 1.00 50.00 C ATOM 445 OD1 ASP A 29 -4.773 -12.056 -1.067 1.00 50.00 O ATOM 446 OD2 ASP A 29 -6.623 -11.025 -1.180 1.00 50.00 O ATOM 0 H ASP A 29 -3.534 -10.229 3.233 1.00 10.00 H new ATOM 0 HA ASP A 29 -3.995 -12.249 1.271 1.00 10.00 H new ATOM 0 HB2 ASP A 29 -6.180 -10.821 1.363 1.00 50.00 H new ATOM 0 HB3 ASP A 29 -5.217 -9.557 0.623 1.00 50.00 H new ATOM 451 N THR A 30 -2.341 -11.052 -0.259 1.00 10.00 N ATOM 452 CA THR A 30 -1.112 -10.569 -0.877 1.00 10.00 C ATOM 453 C THR A 30 -1.373 -10.038 -2.280 1.00 10.00 C ATOM 454 O THR A 30 -1.991 -10.711 -3.105 1.00 50.00 O ATOM 455 CB THR A 30 -0.043 -11.675 -0.949 1.00 50.00 C ATOM 456 OG1 THR A 30 0.259 -12.138 0.373 1.00 50.00 O ATOM 457 CG2 THR A 30 1.227 -11.148 -1.599 1.00 50.00 C ATOM 0 H THR A 30 -2.791 -11.818 -0.761 1.00 10.00 H new ATOM 0 HA THR A 30 -0.742 -9.759 -0.248 1.00 10.00 H new ATOM 0 HB THR A 30 -0.433 -12.497 -1.550 1.00 50.00 H new ATOM 0 HG1 THR A 30 0.025 -11.444 1.024 1.00 50.00 H new ATOM 0 HG21 THR A 30 1.971 -11.943 -1.641 1.00 50.00 H new ATOM 0 HG22 THR A 30 1.004 -10.806 -2.610 1.00 50.00 H new ATOM 0 HG23 THR A 30 1.618 -10.316 -1.013 1.00 50.00 H new ATOM 465 N TYR A 31 -0.896 -8.826 -2.547 1.00 10.00 N ATOM 466 CA TYR A 31 -1.130 -8.175 -3.831 1.00 10.00 C ATOM 467 C TYR A 31 0.181 -7.768 -4.489 1.00 10.00 C ATOM 468 O TYR A 31 0.818 -6.797 -4.080 1.00 50.00 O ATOM 469 CB TYR A 31 -2.030 -6.950 -3.653 1.00 50.00 C ATOM 470 CG TYR A 31 -3.349 -7.252 -2.977 1.00 50.00 C ATOM 471 CD1 TYR A 31 -4.359 -7.920 -3.655 1.00 50.00 C ATOM 472 CD2 TYR A 31 -3.583 -6.864 -1.666 1.00 50.00 C ATOM 473 CE1 TYR A 31 -5.567 -8.198 -3.043 1.00 50.00 C ATOM 474 CE2 TYR A 31 -4.786 -7.137 -1.044 1.00 50.00 C ATOM 475 CZ TYR A 31 -5.777 -7.804 -1.736 1.00 50.00 C ATOM 476 OH TYR A 31 -6.977 -8.076 -1.123 1.00 50.00 O ATOM 0 H TYR A 31 -0.344 -8.274 -1.890 1.00 10.00 H new ATOM 0 HA TYR A 31 -1.630 -8.892 -4.482 1.00 10.00 H new ATOM 0 HB2 TYR A 31 -1.496 -6.201 -3.068 1.00 50.00 H new ATOM 0 HB3 TYR A 31 -2.226 -6.510 -4.631 1.00 50.00 H new ATOM 0 HD1 TYR A 31 -4.199 -8.228 -4.678 1.00 50.00 H new ATOM 0 HD2 TYR A 31 -2.811 -6.339 -1.122 1.00 50.00 H new ATOM 0 HE1 TYR A 31 -6.342 -8.720 -3.584 1.00 50.00 H new ATOM 0 HE2 TYR A 31 -4.950 -6.830 -0.022 1.00 50.00 H new ATOM 0 HH TYR A 31 -7.085 -9.046 -1.031 1.00 50.00 H new ATOM 486 N THR A 32 0.581 -8.519 -5.510 1.00 10.00 N ATOM 487 CA THR A 32 1.828 -8.247 -6.218 1.00 10.00 C ATOM 488 C THR A 32 1.573 -7.946 -7.688 1.00 10.00 C ATOM 489 O THR A 32 2.307 -7.180 -8.312 1.00 50.00 O ATOM 490 CB THR A 32 2.805 -9.431 -6.110 1.00 50.00 C ATOM 491 OG1 THR A 32 2.212 -10.601 -6.686 1.00 50.00 O ATOM 492 CG2 THR A 32 3.150 -9.708 -4.654 1.00 50.00 C ATOM 0 H THR A 32 0.060 -9.321 -5.866 1.00 10.00 H new ATOM 0 HA THR A 32 2.274 -7.373 -5.744 1.00 10.00 H new ATOM 0 HB THR A 32 3.718 -9.176 -6.648 1.00 50.00 H new ATOM 0 HG1 THR A 32 2.837 -11.352 -6.617 1.00 50.00 H new ATOM 0 HG21 THR A 32 3.842 -10.548 -4.598 1.00 50.00 H new ATOM 0 HG22 THR A 32 3.615 -8.825 -4.216 1.00 50.00 H new ATOM 0 HG23 THR A 32 2.240 -9.949 -4.104 1.00 50.00 H new ATOM 500 N LYS A 33 0.526 -8.552 -8.239 1.00 10.00 N ATOM 501 CA LYS A 33 0.186 -8.368 -9.645 1.00 50.00 C ATOM 502 C LYS A 33 -1.254 -7.897 -9.806 1.00 50.00 C ATOM 503 O LYS A 33 -2.109 -8.187 -8.968 1.00 50.00 O ATOM 504 CB LYS A 33 0.405 -9.665 -10.424 1.00 50.00 C ATOM 505 CG LYS A 33 1.858 -10.115 -10.500 1.00 50.00 C ATOM 506 CD LYS A 33 2.002 -11.386 -11.324 1.00 50.00 C ATOM 507 CE LYS A 33 3.453 -11.837 -11.400 1.00 75.00 C ATOM 508 NZ LYS A 33 3.608 -13.074 -12.210 1.00 75.00 N ATOM 0 H LYS A 33 -0.102 -9.176 -7.732 1.00 10.00 H new ATOM 0 HA LYS A 33 0.844 -7.598 -10.049 1.00 50.00 H new ATOM 0 HB2 LYS A 33 -0.184 -10.457 -9.961 1.00 50.00 H new ATOM 0 HB3 LYS A 33 0.024 -9.535 -11.437 1.00 50.00 H new ATOM 0 HG2 LYS A 33 2.463 -9.323 -10.941 1.00 50.00 H new ATOM 0 HG3 LYS A 33 2.241 -10.286 -9.494 1.00 50.00 H new ATOM 0 HD2 LYS A 33 1.396 -12.178 -10.883 1.00 50.00 H new ATOM 0 HD3 LYS A 33 1.620 -11.214 -12.330 1.00 50.00 H new ATOM 0 HE2 LYS A 33 4.058 -11.041 -11.834 1.00 75.00 H new ATOM 0 HE3 LYS A 33 3.832 -12.013 -10.393 1.00 75.00 H new ATOM 0 HZ1 LYS A 33 4.611 -13.348 -12.237 1.00 75.00 H new ATOM 0 HZ2 LYS A 33 3.051 -13.841 -11.782 1.00 75.00 H new ATOM 0 HZ3 LYS A 33 3.271 -12.900 -13.178 1.00 75.00 H new ATOM 522 N VAL A 34 -1.516 -7.170 -10.887 1.00 50.00 N ATOM 523 CA VAL A 34 -2.863 -6.694 -11.182 1.00 50.00 C ATOM 524 C VAL A 34 -3.788 -7.851 -11.539 1.00 50.00 C ATOM 525 O VAL A 34 -3.435 -8.720 -12.336 1.00 50.00 O ATOM 526 CB VAL A 34 -2.861 -5.677 -12.338 1.00 50.00 C ATOM 527 CG1 VAL A 34 -4.285 -5.323 -12.738 1.00 50.00 C ATOM 528 CG2 VAL A 34 -2.094 -4.423 -11.944 1.00 50.00 C ATOM 0 H VAL A 34 -0.813 -6.897 -11.574 1.00 50.00 H new ATOM 0 HA VAL A 34 -3.229 -6.204 -10.280 1.00 50.00 H new ATOM 0 HB VAL A 34 -2.364 -6.132 -13.195 1.00 50.00 H new ATOM 0 HG11 VAL A 34 -4.265 -4.603 -13.556 1.00 50.00 H new ATOM 0 HG12 VAL A 34 -4.807 -6.224 -13.060 1.00 50.00 H new ATOM 0 HG13 VAL A 34 -4.805 -4.888 -11.885 1.00 50.00 H new ATOM 0 HG21 VAL A 34 -2.103 -3.715 -12.773 1.00 50.00 H new ATOM 0 HG22 VAL A 34 -2.565 -3.967 -11.073 1.00 50.00 H new ATOM 0 HG23 VAL A 34 -1.064 -4.687 -11.703 1.00 50.00 H new ATOM 538 N ASP A 35 -4.976 -7.856 -10.943 1.00 50.00 N ATOM 539 CA ASP A 35 -5.920 -8.951 -11.125 1.00 50.00 C ATOM 540 C ASP A 35 -7.345 -8.505 -10.828 1.00 50.00 C ATOM 541 O ASP A 35 -7.574 -7.657 -9.965 1.00 50.00 O ATOM 542 CB ASP A 35 -5.544 -10.137 -10.232 1.00 50.00 C ATOM 543 CG ASP A 35 -6.228 -11.445 -10.604 1.00 50.00 C ATOM 544 OD1 ASP A 35 -7.421 -11.538 -10.439 1.00 50.00 O ATOM 545 OD2 ASP A 35 -5.586 -12.282 -11.192 1.00 50.00 O ATOM 0 H ASP A 35 -5.308 -7.112 -10.329 1.00 50.00 H new ATOM 0 HA ASP A 35 -5.871 -9.263 -12.168 1.00 50.00 H new ATOM 0 HB2 ASP A 35 -4.464 -10.281 -10.275 1.00 50.00 H new ATOM 0 HB3 ASP A 35 -5.792 -9.892 -9.199 1.00 50.00 H new ATOM 550 N ASP A 36 -8.302 -9.081 -11.548 1.00 50.00 N ATOM 551 CA ASP A 36 -9.698 -8.677 -11.430 1.00 50.00 C ATOM 552 C ASP A 36 -10.256 -9.017 -10.055 1.00 50.00 C ATOM 553 O ASP A 36 -11.131 -8.320 -9.538 1.00 50.00 O ATOM 554 CB ASP A 36 -10.544 -9.344 -12.519 1.00 50.00 C ATOM 555 CG ASP A 36 -10.338 -8.769 -13.913 1.00 50.00 C ATOM 556 OD1 ASP A 36 -9.741 -7.724 -14.023 1.00 50.00 O ATOM 557 OD2 ASP A 36 -10.639 -9.449 -14.866 1.00 50.00 O ATOM 0 H ASP A 36 -8.136 -9.830 -12.220 1.00 50.00 H new ATOM 0 HA ASP A 36 -9.743 -7.596 -11.559 1.00 50.00 H new ATOM 0 HB2 ASP A 36 -10.313 -10.409 -12.540 1.00 50.00 H new ATOM 0 HB3 ASP A 36 -11.597 -9.251 -12.252 1.00 50.00 H new ATOM 562 N SER A 37 -9.746 -10.092 -9.464 1.00 50.00 N ATOM 563 CA SER A 37 -10.197 -10.530 -8.148 1.00 50.00 C ATOM 564 C SER A 37 -9.741 -9.566 -7.060 1.00 50.00 C ATOM 565 O SER A 37 -10.222 -9.619 -5.928 1.00 50.00 O ATOM 566 CB SER A 37 -9.687 -11.928 -7.861 1.00 50.00 C ATOM 567 OG SER A 37 -8.291 -11.970 -7.754 1.00 50.00 O ATOM 0 H SER A 37 -9.019 -10.677 -9.876 1.00 50.00 H new ATOM 0 HA SER A 37 -11.287 -10.542 -8.149 1.00 50.00 H new ATOM 0 HB2 SER A 37 -10.132 -12.292 -6.935 1.00 50.00 H new ATOM 0 HB3 SER A 37 -10.009 -12.601 -8.656 1.00 50.00 H new ATOM 0 HG SER A 37 -7.891 -11.831 -8.638 1.00 50.00 H new ATOM 573 N GLN A 38 -8.811 -8.684 -7.410 1.00 50.00 N ATOM 574 CA GLN A 38 -8.286 -7.707 -6.463 1.00 50.00 C ATOM 575 C GLN A 38 -9.059 -6.397 -6.538 1.00 50.00 C ATOM 576 O GLN A 38 -9.621 -6.055 -7.578 1.00 50.00 O ATOM 577 CB GLN A 38 -6.801 -7.447 -6.728 1.00 50.00 C ATOM 578 CG GLN A 38 -5.927 -8.686 -6.644 1.00 50.00 C ATOM 579 CD GLN A 38 -4.514 -8.433 -7.135 1.00 50.00 C ATOM 580 OE1 GLN A 38 -4.310 -7.293 -7.782 1.00 75.00 O flip ATOM 581 NE2 GLN A 38 -3.614 -9.255 -6.932 1.00 50.00 N flip ATOM 0 H GLN A 38 -8.405 -8.626 -8.344 1.00 50.00 H new ATOM 0 HA GLN A 38 -8.404 -8.121 -5.461 1.00 50.00 H new ATOM 0 HB2 GLN A 38 -6.692 -7.006 -7.719 1.00 50.00 H new ATOM 0 HB3 GLN A 38 -6.439 -6.711 -6.010 1.00 50.00 H new ATOM 0 HG2 GLN A 38 -5.893 -9.034 -5.611 1.00 50.00 H new ATOM 0 HG3 GLN A 38 -6.376 -9.485 -7.234 1.00 50.00 H new ATOM 0 HE21 GLN A 38 -3.816 -10.119 -6.429 1.00 50.00 H new ATOM 0 HE22 GLN A 38 -2.669 -9.069 -7.267 1.00 50.00 H new ATOM 590 N PRO A 39 -9.083 -5.666 -5.428 1.00 50.00 N ATOM 591 CA PRO A 39 -9.682 -4.336 -5.399 1.00 50.00 C ATOM 592 C PRO A 39 -9.148 -3.469 -6.533 1.00 50.00 C ATOM 593 O PRO A 39 -7.950 -3.466 -6.814 1.00 50.00 O ATOM 594 CB PRO A 39 -9.300 -3.785 -4.023 1.00 50.00 C ATOM 595 CG PRO A 39 -9.090 -4.997 -3.182 1.00 50.00 C ATOM 596 CD PRO A 39 -8.504 -6.028 -4.107 1.00 50.00 C ATOM 0 HA PRO A 39 -10.762 -4.354 -5.543 1.00 50.00 H new ATOM 0 HB2 PRO A 39 -8.397 -3.177 -4.076 1.00 50.00 H new ATOM 0 HB3 PRO A 39 -10.088 -3.151 -3.616 1.00 50.00 H new ATOM 0 HG2 PRO A 39 -8.417 -4.787 -2.351 1.00 50.00 H new ATOM 0 HG3 PRO A 39 -10.029 -5.344 -2.751 1.00 50.00 H new ATOM 0 HD2 PRO A 39 -7.415 -5.986 -4.119 1.00 50.00 H new ATOM 0 HD3 PRO A 39 -8.780 -7.040 -3.810 1.00 50.00 H new ATOM 604 N ALA A 40 -10.044 -2.733 -7.179 1.00 50.00 N ATOM 605 CA ALA A 40 -9.664 -1.848 -8.274 1.00 50.00 C ATOM 606 C ALA A 40 -8.529 -0.920 -7.862 1.00 50.00 C ATOM 607 O ALA A 40 -7.545 -0.767 -8.586 1.00 50.00 O ATOM 608 CB ALA A 40 -10.866 -1.042 -8.747 1.00 50.00 C ATOM 0 H ALA A 40 -11.041 -2.731 -6.963 1.00 50.00 H new ATOM 0 HA ALA A 40 -9.310 -2.466 -9.099 1.00 50.00 H new ATOM 0 HB1 ALA A 40 -10.566 -0.386 -9.564 1.00 50.00 H new ATOM 0 HB2 ALA A 40 -11.645 -1.721 -9.094 1.00 50.00 H new ATOM 0 HB3 ALA A 40 -11.249 -0.441 -7.922 1.00 50.00 H new ATOM 614 N PHE A 41 -8.669 -0.302 -6.694 1.00 50.00 N ATOM 615 CA PHE A 41 -7.689 0.663 -6.214 1.00 50.00 C ATOM 616 C PHE A 41 -6.382 -0.019 -5.833 1.00 50.00 C ATOM 617 O PHE A 41 -5.318 0.598 -5.854 1.00 50.00 O ATOM 618 CB PHE A 41 -8.244 1.441 -5.020 1.00 50.00 C ATOM 619 CG PHE A 41 -8.406 0.610 -3.778 1.00 50.00 C ATOM 620 CD1 PHE A 41 -9.588 -0.071 -3.532 1.00 75.00 C ATOM 621 CD2 PHE A 41 -7.376 0.509 -2.856 1.00 75.00 C ATOM 622 CE1 PHE A 41 -9.739 -0.835 -2.391 1.00 75.00 C ATOM 623 CE2 PHE A 41 -7.524 -0.255 -1.713 1.00 75.00 C ATOM 624 CZ PHE A 41 -8.706 -0.926 -1.481 1.00 75.00 C ATOM 0 H PHE A 41 -9.455 -0.454 -6.061 1.00 50.00 H new ATOM 0 HA PHE A 41 -7.484 1.360 -7.027 1.00 50.00 H new ATOM 0 HB2 PHE A 41 -7.580 2.277 -4.802 1.00 50.00 H new ATOM 0 HB3 PHE A 41 -9.211 1.864 -5.292 1.00 50.00 H new ATOM 0 HD1 PHE A 41 -10.400 -0.004 -4.241 1.00 75.00 H new ATOM 0 HD2 PHE A 41 -6.448 1.033 -3.032 1.00 75.00 H new ATOM 0 HE1 PHE A 41 -10.665 -1.361 -2.211 1.00 75.00 H new ATOM 0 HE2 PHE A 41 -6.714 -0.326 -1.002 1.00 75.00 H new ATOM 0 HZ PHE A 41 -8.823 -1.522 -0.588 1.00 75.00 H new ATOM 634 N ILE A 42 -6.470 -1.299 -5.486 1.00 50.00 N ATOM 635 CA ILE A 42 -5.283 -2.119 -5.276 1.00 50.00 C ATOM 636 C ILE A 42 -4.589 -2.432 -6.596 1.00 10.00 C ATOM 637 O ILE A 42 -3.364 -2.530 -6.657 1.00 50.00 O ATOM 638 CB ILE A 42 -5.626 -3.439 -4.561 1.00 50.00 C ATOM 639 CG1 ILE A 42 -6.017 -3.172 -3.107 1.00 50.00 C ATOM 640 CG2 ILE A 42 -4.453 -4.404 -4.634 1.00 50.00 C ATOM 641 CD1 ILE A 42 -4.912 -2.553 -2.281 1.00 50.00 C ATOM 0 H ILE A 42 -7.352 -1.791 -5.344 1.00 50.00 H new ATOM 0 HA ILE A 42 -4.610 -1.540 -4.644 1.00 50.00 H new ATOM 0 HB ILE A 42 -6.477 -3.897 -5.066 1.00 50.00 H new ATOM 0 HG12 ILE A 42 -6.884 -2.512 -3.089 1.00 50.00 H new ATOM 0 HG13 ILE A 42 -6.321 -4.111 -2.644 1.00 50.00 H new ATOM 0 HG21 ILE A 42 -4.713 -5.332 -4.124 1.00 50.00 H new ATOM 0 HG22 ILE A 42 -4.221 -4.617 -5.678 1.00 50.00 H new ATOM 0 HG23 ILE A 42 -3.583 -3.957 -4.153 1.00 50.00 H new ATOM 0 HD11 ILE A 42 -5.265 -2.394 -1.262 1.00 50.00 H new ATOM 0 HD12 ILE A 42 -4.051 -3.221 -2.266 1.00 50.00 H new ATOM 0 HD13 ILE A 42 -4.623 -1.597 -2.718 1.00 50.00 H new ATOM 653 N ASN A 43 -5.381 -2.587 -7.652 1.00 10.00 N ATOM 654 CA ASN A 43 -4.842 -2.735 -8.998 1.00 10.00 C ATOM 655 C ASN A 43 -4.141 -1.462 -9.455 1.00 10.00 C ATOM 656 O ASN A 43 -3.047 -1.513 -10.018 1.00 50.00 O ATOM 657 CB ASN A 43 -5.923 -3.123 -9.990 1.00 50.00 C ATOM 658 CG ASN A 43 -6.397 -4.542 -9.845 1.00 50.00 C ATOM 659 OD1 ASN A 43 -5.662 -5.418 -9.375 1.00 50.00 O ATOM 660 ND2 ASN A 43 -7.591 -4.790 -10.320 1.00 50.00 N ATOM 0 H ASN A 43 -6.399 -2.613 -7.601 1.00 10.00 H new ATOM 0 HA ASN A 43 -4.108 -3.540 -8.962 1.00 10.00 H new ATOM 0 HB2 ASN A 43 -6.773 -2.451 -9.868 1.00 50.00 H new ATOM 0 HB3 ASN A 43 -5.544 -2.978 -11.002 1.00 50.00 H new ATOM 0 HD21 ASN A 43 -7.955 -5.743 -10.313 1.00 50.00 H new ATOM 0 HD22 ASN A 43 -8.158 -4.030 -10.697 1.00 50.00 H new ATOM 667 N ASP A 44 -4.777 -0.322 -9.209 1.00 10.00 N ATOM 668 CA ASP A 44 -4.206 0.968 -9.579 1.00 10.00 C ATOM 669 C ASP A 44 -2.884 1.211 -8.865 1.00 10.00 C ATOM 670 O ASP A 44 -1.884 1.563 -9.491 1.00 50.00 O ATOM 671 CB ASP A 44 -5.190 2.098 -9.266 1.00 50.00 C ATOM 672 CG ASP A 44 -6.394 2.159 -10.196 1.00 50.00 C ATOM 673 OD1 ASP A 44 -6.371 1.504 -11.211 1.00 50.00 O ATOM 674 OD2 ASP A 44 -7.386 2.733 -9.813 1.00 50.00 O ATOM 0 H ASP A 44 -5.688 -0.265 -8.755 1.00 10.00 H new ATOM 0 HA ASP A 44 -4.014 0.953 -10.652 1.00 10.00 H new ATOM 0 HB2 ASP A 44 -5.543 1.982 -8.241 1.00 50.00 H new ATOM 0 HB3 ASP A 44 -4.660 3.049 -9.315 1.00 50.00 H new ATOM 679 N ILE A 45 -2.884 1.022 -7.550 1.00 10.00 N ATOM 680 CA ILE A 45 -1.722 1.343 -6.729 1.00 10.00 C ATOM 681 C ILE A 45 -0.527 0.474 -7.101 1.00 10.00 C ATOM 682 O ILE A 45 0.618 0.920 -7.044 1.00 50.00 O ATOM 683 CB ILE A 45 -2.025 1.168 -5.229 1.00 50.00 C ATOM 684 CG1 ILE A 45 -0.983 1.908 -4.385 1.00 50.00 C ATOM 685 CG2 ILE A 45 -2.062 -0.306 -4.861 1.00 50.00 C ATOM 686 CD1 ILE A 45 -1.336 1.996 -2.918 1.00 50.00 C ATOM 0 H ILE A 45 -3.677 0.648 -7.029 1.00 10.00 H new ATOM 0 HA ILE A 45 -1.480 2.388 -6.922 1.00 10.00 H new ATOM 0 HB ILE A 45 -3.005 1.597 -5.021 1.00 50.00 H new ATOM 0 HG12 ILE A 45 -0.022 1.404 -4.488 1.00 50.00 H new ATOM 0 HG13 ILE A 45 -0.859 2.916 -4.780 1.00 50.00 H new ATOM 0 HG21 ILE A 45 -2.277 -0.410 -3.798 1.00 50.00 H new ATOM 0 HG22 ILE A 45 -2.839 -0.806 -5.439 1.00 50.00 H new ATOM 0 HG23 ILE A 45 -1.096 -0.761 -5.082 1.00 50.00 H new ATOM 0 HD11 ILE A 45 -0.551 2.533 -2.386 1.00 50.00 H new ATOM 0 HD12 ILE A 45 -2.281 2.527 -2.802 1.00 50.00 H new ATOM 0 HD13 ILE A 45 -1.431 0.991 -2.506 1.00 50.00 H new ATOM 698 N LEU A 46 -0.803 -0.768 -7.482 1.00 10.00 N ATOM 699 CA LEU A 46 0.228 -1.654 -8.009 1.00 10.00 C ATOM 700 C LEU A 46 0.826 -1.100 -9.296 1.00 10.00 C ATOM 701 O LEU A 46 2.026 -1.222 -9.537 1.00 50.00 O ATOM 702 CB LEU A 46 -0.347 -3.055 -8.248 1.00 50.00 C ATOM 703 CG LEU A 46 -0.633 -3.868 -6.978 1.00 50.00 C ATOM 704 CD1 LEU A 46 -1.365 -5.155 -7.337 1.00 50.00 C ATOM 705 CD2 LEU A 46 0.676 -4.174 -6.265 1.00 50.00 C ATOM 0 H LEU A 46 -1.733 -1.184 -7.436 1.00 10.00 H new ATOM 0 HA LEU A 46 1.026 -1.721 -7.269 1.00 10.00 H new ATOM 0 HB2 LEU A 46 -1.273 -2.959 -8.815 1.00 50.00 H new ATOM 0 HB3 LEU A 46 0.351 -3.616 -8.870 1.00 50.00 H new ATOM 0 HG LEU A 46 -1.269 -3.288 -6.310 1.00 50.00 H new ATOM 0 HD11 LEU A 46 -1.564 -5.726 -6.430 1.00 50.00 H new ATOM 0 HD12 LEU A 46 -2.308 -4.913 -7.827 1.00 50.00 H new ATOM 0 HD13 LEU A 46 -0.748 -5.749 -8.011 1.00 50.00 H new ATOM 0 HD21 LEU A 46 0.473 -4.751 -5.363 1.00 50.00 H new ATOM 0 HD22 LEU A 46 1.324 -4.749 -6.926 1.00 50.00 H new ATOM 0 HD23 LEU A 46 1.170 -3.241 -5.995 1.00 50.00 H new ATOM 717 N LYS A 47 -0.019 -0.489 -10.120 1.00 10.00 N ATOM 718 CA LYS A 47 0.423 0.090 -11.381 1.00 10.00 C ATOM 719 C LYS A 47 1.214 1.371 -11.152 1.00 10.00 C ATOM 720 O LYS A 47 1.999 1.788 -12.004 1.00 50.00 O ATOM 721 CB LYS A 47 -0.772 0.366 -12.294 1.00 50.00 C ATOM 722 CG LYS A 47 -1.431 -0.883 -12.864 1.00 50.00 C ATOM 723 CD LYS A 47 -2.597 -0.528 -13.775 1.00 50.00 C ATOM 724 CE LYS A 47 -3.238 -1.775 -14.366 1.00 50.00 C ATOM 725 NZ LYS A 47 -4.341 -1.440 -15.307 1.00 50.00 N ATOM 0 H LYS A 47 -1.016 -0.382 -9.935 1.00 10.00 H new ATOM 0 HA LYS A 47 1.078 -0.633 -11.867 1.00 10.00 H new ATOM 0 HB2 LYS A 47 -1.517 0.932 -11.735 1.00 50.00 H new ATOM 0 HB3 LYS A 47 -0.444 0.998 -13.120 1.00 50.00 H new ATOM 0 HG2 LYS A 47 -0.695 -1.463 -13.421 1.00 50.00 H new ATOM 0 HG3 LYS A 47 -1.783 -1.515 -12.049 1.00 50.00 H new ATOM 0 HD2 LYS A 47 -3.342 0.035 -13.213 1.00 50.00 H new ATOM 0 HD3 LYS A 47 -2.248 0.120 -14.579 1.00 50.00 H new ATOM 0 HE2 LYS A 47 -2.481 -2.360 -14.888 1.00 50.00 H new ATOM 0 HE3 LYS A 47 -3.625 -2.400 -13.561 1.00 50.00 H new ATOM 0 HZ1 LYS A 47 -4.751 -2.317 -15.687 1.00 50.00 H new ATOM 0 HZ2 LYS A 47 -5.076 -0.904 -14.803 1.00 50.00 H new ATOM 0 HZ3 LYS A 47 -3.968 -0.865 -16.089 1.00 50.00 H new ATOM 739 N VAL A 48 1.003 1.991 -9.996 1.00 10.00 N ATOM 740 CA VAL A 48 1.699 3.224 -9.651 1.00 10.00 C ATOM 741 C VAL A 48 3.200 2.999 -9.546 1.00 10.00 C ATOM 742 O VAL A 48 3.658 2.160 -8.770 1.00 50.00 O ATOM 743 CB VAL A 48 1.186 3.810 -8.322 1.00 50.00 C ATOM 744 CG1 VAL A 48 2.054 4.978 -7.881 1.00 50.00 C ATOM 745 CG2 VAL A 48 -0.265 4.249 -8.458 1.00 50.00 C ATOM 0 H VAL A 48 0.355 1.659 -9.282 1.00 10.00 H new ATOM 0 HA VAL A 48 1.496 3.933 -10.454 1.00 10.00 H new ATOM 0 HB VAL A 48 1.243 3.032 -7.560 1.00 50.00 H new ATOM 0 HG11 VAL A 48 1.675 5.378 -6.940 1.00 50.00 H new ATOM 0 HG12 VAL A 48 3.080 4.637 -7.743 1.00 50.00 H new ATOM 0 HG13 VAL A 48 2.030 5.757 -8.643 1.00 50.00 H new ATOM 0 HG21 VAL A 48 -0.611 4.660 -7.510 1.00 50.00 H new ATOM 0 HG22 VAL A 48 -0.344 5.010 -9.234 1.00 50.00 H new ATOM 0 HG23 VAL A 48 -0.881 3.391 -8.728 1.00 50.00 H new ATOM 755 N GLU A 49 3.963 3.751 -10.332 1.00 10.00 N ATOM 756 CA GLU A 49 5.418 3.702 -10.263 1.00 10.00 C ATOM 757 C GLU A 49 5.919 4.110 -8.883 1.00 10.00 C ATOM 758 O GLU A 49 5.544 5.161 -8.363 1.00 50.00 O ATOM 759 CB GLU A 49 6.036 4.603 -11.335 1.00 50.00 C ATOM 760 CG GLU A 49 7.556 4.548 -11.402 1.00 50.00 C ATOM 761 CD GLU A 49 8.086 5.426 -12.501 1.00 50.00 C ATOM 762 OE1 GLU A 49 7.295 6.014 -13.199 1.00 50.00 O ATOM 763 OE2 GLU A 49 9.280 5.598 -12.573 1.00 50.00 O ATOM 0 H GLU A 49 3.596 4.403 -11.026 1.00 10.00 H new ATOM 0 HA GLU A 49 5.725 2.672 -10.446 1.00 10.00 H new ATOM 0 HB2 GLU A 49 5.631 4.321 -12.307 1.00 50.00 H new ATOM 0 HB3 GLU A 49 5.730 5.632 -11.148 1.00 50.00 H new ATOM 0 HG2 GLU A 49 7.976 4.864 -10.447 1.00 50.00 H new ATOM 0 HG3 GLU A 49 7.878 3.520 -11.568 1.00 50.00 H new ATOM 770 N GLY A 50 6.765 3.272 -8.294 1.00 10.00 N ATOM 771 CA GLY A 50 7.268 3.513 -6.948 1.00 10.00 C ATOM 772 C GLY A 50 6.737 2.476 -5.967 1.00 10.00 C ATOM 773 O GLY A 50 7.416 2.105 -5.010 1.00 50.00 O ATOM 0 H GLY A 50 7.117 2.419 -8.729 1.00 10.00 H new ATOM 0 HA2 GLY A 50 8.358 3.487 -6.954 1.00 10.00 H new ATOM 0 HA3 GLY A 50 6.975 4.511 -6.621 1.00 10.00 H new ATOM 777 N VAL A 51 5.516 2.009 -6.212 1.00 10.00 N ATOM 778 CA VAL A 51 4.918 0.961 -5.393 1.00 10.00 C ATOM 779 C VAL A 51 5.257 -0.420 -5.935 1.00 10.00 C ATOM 780 O VAL A 51 5.006 -0.718 -7.103 1.00 50.00 O ATOM 781 CB VAL A 51 3.387 1.110 -5.312 1.00 50.00 C ATOM 782 CG1 VAL A 51 2.782 -0.035 -4.514 1.00 50.00 C ATOM 783 CG2 VAL A 51 3.013 2.446 -4.690 1.00 50.00 C ATOM 0 H VAL A 51 4.922 2.340 -6.972 1.00 10.00 H new ATOM 0 HA VAL A 51 5.336 1.068 -4.392 1.00 10.00 H new ATOM 0 HB VAL A 51 2.985 1.076 -6.324 1.00 50.00 H new ATOM 0 HG11 VAL A 51 1.700 0.086 -4.467 1.00 50.00 H new ATOM 0 HG12 VAL A 51 3.020 -0.982 -4.998 1.00 50.00 H new ATOM 0 HG13 VAL A 51 3.192 -0.031 -3.504 1.00 50.00 H new ATOM 0 HG21 VAL A 51 1.928 2.533 -4.641 1.00 50.00 H new ATOM 0 HG22 VAL A 51 3.428 2.508 -3.684 1.00 50.00 H new ATOM 0 HG23 VAL A 51 3.415 3.256 -5.299 1.00 50.00 H new ATOM 793 N LYS A 52 5.829 -1.262 -5.080 1.00 10.00 N ATOM 794 CA LYS A 52 6.288 -2.582 -5.495 1.00 10.00 C ATOM 795 C LYS A 52 5.273 -3.658 -5.129 1.00 10.00 C ATOM 796 O LYS A 52 4.865 -4.454 -5.975 1.00 50.00 O ATOM 797 CB LYS A 52 7.644 -2.901 -4.865 1.00 50.00 C ATOM 798 CG LYS A 52 8.218 -4.255 -5.259 1.00 50.00 C ATOM 799 CD LYS A 52 9.579 -4.487 -4.620 1.00 50.00 C ATOM 800 CE LYS A 52 10.180 -5.814 -5.062 1.00 50.00 C ATOM 801 NZ LYS A 52 11.543 -6.021 -4.501 1.00 50.00 N ATOM 0 H LYS A 52 5.986 -1.053 -4.094 1.00 10.00 H new ATOM 0 HA LYS A 52 6.397 -2.571 -6.580 1.00 10.00 H new ATOM 0 HB2 LYS A 52 8.354 -2.123 -5.147 1.00 50.00 H new ATOM 0 HB3 LYS A 52 7.545 -2.864 -3.780 1.00 50.00 H new ATOM 0 HG2 LYS A 52 7.532 -5.045 -4.955 1.00 50.00 H new ATOM 0 HG3 LYS A 52 8.309 -4.312 -6.344 1.00 50.00 H new ATOM 0 HD2 LYS A 52 10.252 -3.673 -4.889 1.00 50.00 H new ATOM 0 HD3 LYS A 52 9.480 -4.474 -3.535 1.00 50.00 H new ATOM 0 HE2 LYS A 52 9.530 -6.630 -4.746 1.00 50.00 H new ATOM 0 HE3 LYS A 52 10.227 -5.847 -6.151 1.00 50.00 H new ATOM 0 HZ1 LYS A 52 11.917 -6.936 -4.826 1.00 50.00 H new ATOM 0 HZ2 LYS A 52 12.171 -5.257 -4.823 1.00 50.00 H new ATOM 0 HZ3 LYS A 52 11.495 -6.016 -3.462 1.00 50.00 H new ATOM 815 N SER A 53 4.871 -3.678 -3.863 1.00 10.00 N ATOM 816 CA SER A 53 4.010 -4.736 -3.349 1.00 10.00 C ATOM 817 C SER A 53 3.049 -4.202 -2.294 1.00 10.00 C ATOM 818 O SER A 53 3.424 -3.377 -1.460 1.00 50.00 O ATOM 819 CB SER A 53 4.852 -5.860 -2.776 1.00 50.00 C ATOM 820 OG SER A 53 4.063 -6.889 -2.246 1.00 50.00 O ATOM 0 H SER A 53 5.128 -2.972 -3.173 1.00 10.00 H new ATOM 0 HA SER A 53 3.416 -5.123 -4.177 1.00 10.00 H new ATOM 0 HB2 SER A 53 5.498 -6.263 -3.556 1.00 50.00 H new ATOM 0 HB3 SER A 53 5.503 -5.464 -1.997 1.00 50.00 H new ATOM 0 HG SER A 53 4.642 -7.594 -1.889 1.00 50.00 H new ATOM 826 N ILE A 54 1.810 -4.676 -2.337 1.00 10.00 N ATOM 827 CA ILE A 54 0.822 -4.332 -1.322 1.00 10.00 C ATOM 828 C ILE A 54 0.356 -5.568 -0.565 1.00 10.00 C ATOM 829 O ILE A 54 -0.078 -6.550 -1.168 1.00 50.00 O ATOM 830 CB ILE A 54 -0.400 -3.626 -1.937 1.00 50.00 C ATOM 831 CG1 ILE A 54 0.035 -2.372 -2.697 1.00 50.00 C ATOM 832 CG2 ILE A 54 -1.411 -3.276 -0.857 1.00 50.00 C ATOM 833 CD1 ILE A 54 0.623 -1.295 -1.815 1.00 50.00 C ATOM 0 H ILE A 54 1.465 -5.301 -3.065 1.00 10.00 H new ATOM 0 HA ILE A 54 1.311 -3.649 -0.628 1.00 10.00 H new ATOM 0 HB ILE A 54 -0.876 -4.307 -2.643 1.00 50.00 H new ATOM 0 HG12 ILE A 54 0.771 -2.653 -3.451 1.00 50.00 H new ATOM 0 HG13 ILE A 54 -0.825 -1.964 -3.228 1.00 50.00 H new ATOM 0 HG21 ILE A 54 -2.268 -2.778 -1.309 1.00 50.00 H new ATOM 0 HG22 ILE A 54 -1.742 -4.188 -0.359 1.00 50.00 H new ATOM 0 HG23 ILE A 54 -0.948 -2.612 -0.127 1.00 50.00 H new ATOM 0 HD11 ILE A 54 0.907 -0.439 -2.427 1.00 50.00 H new ATOM 0 HD12 ILE A 54 -0.117 -0.985 -1.077 1.00 50.00 H new ATOM 0 HD13 ILE A 54 1.504 -1.684 -1.304 1.00 50.00 H new ATOM 845 N PHE A 55 0.450 -5.517 0.758 1.00 10.00 N ATOM 846 CA PHE A 55 0.077 -6.649 1.598 1.00 10.00 C ATOM 847 C PHE A 55 -0.985 -6.256 2.617 1.00 10.00 C ATOM 848 O PHE A 55 -0.815 -5.293 3.364 1.00 50.00 O ATOM 849 CB PHE A 55 1.308 -7.213 2.312 1.00 50.00 C ATOM 850 CG PHE A 55 1.009 -8.385 3.202 1.00 50.00 C ATOM 851 CD1 PHE A 55 0.597 -9.595 2.663 1.00 50.00 C ATOM 852 CD2 PHE A 55 1.140 -8.280 4.578 1.00 50.00 C ATOM 853 CE1 PHE A 55 0.321 -10.674 3.482 1.00 50.00 C ATOM 854 CE2 PHE A 55 0.866 -9.358 5.398 1.00 50.00 C ATOM 855 CZ PHE A 55 0.456 -10.556 4.849 1.00 50.00 C ATOM 0 H PHE A 55 0.782 -4.702 1.274 1.00 10.00 H new ATOM 0 HA PHE A 55 -0.343 -7.419 0.951 1.00 10.00 H new ATOM 0 HB2 PHE A 55 2.043 -7.514 1.566 1.00 50.00 H new ATOM 0 HB3 PHE A 55 1.764 -6.423 2.908 1.00 50.00 H new ATOM 0 HD1 PHE A 55 0.491 -9.695 1.593 1.00 50.00 H new ATOM 0 HD2 PHE A 55 1.460 -7.345 5.014 1.00 50.00 H new ATOM 0 HE1 PHE A 55 -0.001 -11.610 3.051 1.00 50.00 H new ATOM 0 HE2 PHE A 55 0.973 -9.263 6.469 1.00 50.00 H new ATOM 0 HZ PHE A 55 0.241 -11.399 5.489 1.00 50.00 H new ATOM 865 N HIS A 56 -2.081 -7.006 2.641 1.00 10.00 N ATOM 866 CA HIS A 56 -3.136 -6.790 3.623 1.00 10.00 C ATOM 867 C HIS A 56 -3.033 -7.785 4.771 1.00 10.00 C ATOM 868 O HIS A 56 -3.022 -8.997 4.556 1.00 50.00 O ATOM 869 CB HIS A 56 -4.516 -6.889 2.965 1.00 50.00 C ATOM 870 CG HIS A 56 -5.653 -6.808 3.938 1.00 50.00 C ATOM 871 ND1 HIS A 56 -6.895 -7.347 3.675 1.00 50.00 N ATOM 872 CD2 HIS A 56 -5.735 -6.252 5.168 1.00 50.00 C ATOM 873 CE1 HIS A 56 -7.693 -7.126 4.706 1.00 50.00 C ATOM 874 NE2 HIS A 56 -7.013 -6.463 5.623 1.00 50.00 N ATOM 0 H HIS A 56 -2.262 -7.770 1.990 1.00 10.00 H new ATOM 0 HA HIS A 56 -3.009 -5.786 4.028 1.00 10.00 H new ATOM 0 HB2 HIS A 56 -4.618 -6.088 2.233 1.00 50.00 H new ATOM 0 HB3 HIS A 56 -4.582 -7.830 2.419 1.00 50.00 H new ATOM 0 HD2 HIS A 56 -4.944 -5.738 5.694 1.00 50.00 H new ATOM 0 HE1 HIS A 56 -8.725 -7.435 4.784 1.00 50.00 H new ATOM 0 HE2 HIS A 56 -7.378 -6.157 6.525 1.00 50.00 H new ATOM 882 N VAL A 57 -2.958 -7.268 5.993 1.00 10.00 N ATOM 883 CA VAL A 57 -3.010 -8.105 7.184 1.00 10.00 C ATOM 884 C VAL A 57 -3.963 -7.526 8.224 1.00 10.00 C ATOM 885 O VAL A 57 -3.900 -6.338 8.543 1.00 50.00 O ATOM 886 CB VAL A 57 -1.617 -8.275 7.818 1.00 50.00 C ATOM 887 CG1 VAL A 57 -0.983 -6.918 8.083 1.00 50.00 C ATOM 888 CG2 VAL A 57 -1.711 -9.078 9.106 1.00 50.00 C ATOM 0 H VAL A 57 -2.861 -6.271 6.184 1.00 10.00 H new ATOM 0 HA VAL A 57 -3.375 -9.081 6.865 1.00 10.00 H new ATOM 0 HB VAL A 57 -0.985 -8.821 7.117 1.00 50.00 H new ATOM 0 HG11 VAL A 57 0.001 -7.057 8.531 1.00 50.00 H new ATOM 0 HG12 VAL A 57 -0.880 -6.375 7.144 1.00 50.00 H new ATOM 0 HG13 VAL A 57 -1.615 -6.348 8.764 1.00 50.00 H new ATOM 0 HG21 VAL A 57 -0.717 -9.188 9.540 1.00 50.00 H new ATOM 0 HG22 VAL A 57 -2.360 -8.559 9.812 1.00 50.00 H new ATOM 0 HG23 VAL A 57 -2.124 -10.064 8.891 1.00 50.00 H new ATOM 898 N MET A 58 -4.844 -8.371 8.748 1.00 10.00 N ATOM 899 CA MET A 58 -5.819 -7.940 9.743 1.00 10.00 C ATOM 900 C MET A 58 -6.634 -6.756 9.239 1.00 10.00 C ATOM 901 O MET A 58 -7.518 -6.910 8.397 1.00 50.00 O ATOM 902 CB MET A 58 -5.116 -7.582 11.050 1.00 50.00 C ATOM 903 CG MET A 58 -6.057 -7.272 12.207 1.00 50.00 C ATOM 904 SD MET A 58 -5.179 -6.811 13.712 1.00 75.00 S ATOM 905 CE MET A 58 -4.459 -8.383 14.180 1.00 75.00 C ATOM 0 H MET A 58 -4.903 -9.359 8.500 1.00 10.00 H new ATOM 0 HA MET A 58 -6.505 -8.767 9.924 1.00 10.00 H new ATOM 0 HB2 MET A 58 -4.467 -8.409 11.337 1.00 50.00 H new ATOM 0 HB3 MET A 58 -4.474 -6.718 10.878 1.00 50.00 H new ATOM 0 HG2 MET A 58 -6.726 -6.461 11.919 1.00 50.00 H new ATOM 0 HG3 MET A 58 -6.680 -8.144 12.407 1.00 50.00 H new ATOM 0 HE1 MET A 58 -4.082 -8.321 15.201 1.00 75.00 H new ATOM 0 HE2 MET A 58 -5.218 -9.163 14.120 1.00 75.00 H new ATOM 0 HE3 MET A 58 -3.638 -8.623 13.504 1.00 75.00 H new ATOM 915 N ASP A 59 -6.329 -5.572 9.760 1.00 10.00 N ATOM 916 CA ASP A 59 -7.110 -4.378 9.456 1.00 10.00 C ATOM 917 C ASP A 59 -6.208 -3.223 9.039 1.00 10.00 C ATOM 918 O ASP A 59 -6.578 -2.055 9.169 1.00 50.00 O ATOM 919 CB ASP A 59 -7.961 -3.972 10.662 1.00 50.00 C ATOM 920 CG ASP A 59 -7.158 -3.582 11.895 1.00 50.00 C ATOM 921 OD1 ASP A 59 -5.953 -3.651 11.842 1.00 75.00 O ATOM 922 OD2 ASP A 59 -7.740 -3.072 12.822 1.00 50.00 O ATOM 0 H ASP A 59 -5.547 -5.414 10.395 1.00 10.00 H new ATOM 0 HA ASP A 59 -7.770 -4.615 8.621 1.00 10.00 H new ATOM 0 HB2 ASP A 59 -8.597 -3.134 10.377 1.00 50.00 H new ATOM 0 HB3 ASP A 59 -8.622 -4.800 10.920 1.00 50.00 H new ATOM 927 N PHE A 60 -5.024 -3.554 8.536 1.00 10.00 N ATOM 928 CA PHE A 60 -4.088 -2.546 8.050 1.00 10.00 C ATOM 929 C PHE A 60 -3.239 -3.089 6.908 1.00 10.00 C ATOM 930 O PHE A 60 -3.183 -4.298 6.683 1.00 50.00 O ATOM 931 CB PHE A 60 -3.190 -2.058 9.189 1.00 50.00 C ATOM 932 CG PHE A 60 -2.262 -3.112 9.722 1.00 50.00 C ATOM 933 CD1 PHE A 60 -2.683 -3.998 10.701 1.00 50.00 C ATOM 934 CD2 PHE A 60 -0.964 -3.217 9.245 1.00 50.00 C ATOM 935 CE1 PHE A 60 -1.830 -4.966 11.194 1.00 50.00 C ATOM 936 CE2 PHE A 60 -0.108 -4.186 9.736 1.00 50.00 C ATOM 937 CZ PHE A 60 -0.540 -5.059 10.709 1.00 50.00 C ATOM 0 H PHE A 60 -4.689 -4.514 8.454 1.00 10.00 H new ATOM 0 HA PHE A 60 -4.668 -1.705 7.672 1.00 10.00 H new ATOM 0 HB2 PHE A 60 -2.600 -1.212 8.837 1.00 50.00 H new ATOM 0 HB3 PHE A 60 -3.817 -1.693 10.003 1.00 50.00 H new ATOM 0 HD1 PHE A 60 -3.691 -3.931 11.083 1.00 50.00 H new ATOM 0 HD2 PHE A 60 -0.618 -2.535 8.482 1.00 50.00 H new ATOM 0 HE1 PHE A 60 -2.171 -5.649 11.958 1.00 50.00 H new ATOM 0 HE2 PHE A 60 0.900 -4.258 9.356 1.00 50.00 H new ATOM 0 HZ PHE A 60 0.129 -5.815 11.092 1.00 50.00 H new ATOM 947 N ILE A 61 -2.577 -2.188 6.189 1.00 10.00 N ATOM 948 CA ILE A 61 -1.905 -2.543 4.946 1.00 10.00 C ATOM 949 C ILE A 61 -0.416 -2.232 5.017 1.00 10.00 C ATOM 950 O ILE A 61 -0.020 -1.114 5.344 1.00 50.00 O ATOM 951 CB ILE A 61 -2.519 -1.804 3.742 1.00 50.00 C ATOM 952 CG1 ILE A 61 -3.972 -2.236 3.536 1.00 50.00 C ATOM 953 CG2 ILE A 61 -1.699 -2.065 2.485 1.00 50.00 C ATOM 954 CD1 ILE A 61 -4.700 -1.439 2.475 1.00 50.00 C ATOM 0 H ILE A 61 -2.492 -1.205 6.447 1.00 10.00 H new ATOM 0 HA ILE A 61 -2.041 -3.616 4.809 1.00 10.00 H new ATOM 0 HB ILE A 61 -2.504 -0.733 3.946 1.00 50.00 H new ATOM 0 HG12 ILE A 61 -3.993 -3.291 3.263 1.00 50.00 H new ATOM 0 HG13 ILE A 61 -4.507 -2.141 4.481 1.00 50.00 H new ATOM 0 HG21 ILE A 61 -2.146 -1.536 1.643 1.00 50.00 H new ATOM 0 HG22 ILE A 61 -0.679 -1.711 2.636 1.00 50.00 H new ATOM 0 HG23 ILE A 61 -1.685 -3.135 2.275 1.00 50.00 H new ATOM 0 HD11 ILE A 61 -5.724 -1.802 2.386 1.00 50.00 H new ATOM 0 HD12 ILE A 61 -4.712 -0.386 2.755 1.00 50.00 H new ATOM 0 HD13 ILE A 61 -4.189 -1.554 1.519 1.00 50.00 H new ATOM 966 N SER A 62 0.407 -3.229 4.708 1.00 10.00 N ATOM 967 CA SER A 62 1.844 -3.025 4.578 1.00 10.00 C ATOM 968 C SER A 62 2.227 -2.705 3.139 1.00 10.00 C ATOM 969 O SER A 62 1.899 -3.455 2.218 1.00 50.00 O ATOM 970 CB SER A 62 2.592 -4.249 5.064 1.00 50.00 C ATOM 971 OG SER A 62 3.973 -4.144 4.847 1.00 50.00 O ATOM 0 H SER A 62 0.102 -4.188 4.543 1.00 10.00 H new ATOM 0 HA SER A 62 2.122 -2.172 5.196 1.00 10.00 H new ATOM 0 HB2 SER A 62 2.402 -4.390 6.128 1.00 50.00 H new ATOM 0 HB3 SER A 62 2.211 -5.133 4.552 1.00 50.00 H new ATOM 0 HG SER A 62 4.418 -4.953 5.176 1.00 50.00 H new ATOM 977 N VAL A 63 2.922 -1.590 2.949 1.00 10.00 N ATOM 978 CA VAL A 63 3.285 -1.130 1.615 1.00 10.00 C ATOM 979 C VAL A 63 4.794 -1.179 1.407 1.00 10.00 C ATOM 980 O VAL A 63 5.552 -0.538 2.136 1.00 50.00 O ATOM 981 CB VAL A 63 2.787 0.304 1.354 1.00 50.00 C ATOM 982 CG1 VAL A 63 3.208 0.772 -0.029 1.00 50.00 C ATOM 983 CG2 VAL A 63 1.277 0.379 1.505 1.00 50.00 C ATOM 0 H VAL A 63 3.246 -0.986 3.705 1.00 10.00 H new ATOM 0 HA VAL A 63 2.801 -1.805 0.909 1.00 10.00 H new ATOM 0 HB VAL A 63 3.240 0.965 2.093 1.00 50.00 H new ATOM 0 HG11 VAL A 63 2.847 1.787 -0.195 1.00 50.00 H new ATOM 0 HG12 VAL A 63 4.295 0.757 -0.103 1.00 50.00 H new ATOM 0 HG13 VAL A 63 2.784 0.108 -0.782 1.00 50.00 H new ATOM 0 HG21 VAL A 63 0.943 1.399 1.317 1.00 50.00 H new ATOM 0 HG22 VAL A 63 0.806 -0.295 0.789 1.00 50.00 H new ATOM 0 HG23 VAL A 63 0.998 0.086 2.517 1.00 50.00 H new ATOM 993 N ASP A 64 5.223 -1.942 0.408 1.00 10.00 N ATOM 994 CA ASP A 64 6.635 -2.016 0.054 1.00 10.00 C ATOM 995 C ASP A 64 6.909 -1.310 -1.267 1.00 10.00 C ATOM 996 O ASP A 64 6.263 -1.589 -2.277 1.00 50.00 O ATOM 997 CB ASP A 64 7.095 -3.474 -0.025 1.00 50.00 C ATOM 998 CG ASP A 64 8.582 -3.652 -0.297 1.00 50.00 C ATOM 999 OD1 ASP A 64 9.248 -2.667 -0.512 1.00 50.00 O ATOM 1000 OD2 ASP A 64 9.068 -4.746 -0.135 1.00 50.00 O ATOM 0 H ASP A 64 4.612 -2.518 -0.171 1.00 10.00 H new ATOM 0 HA ASP A 64 7.200 -1.509 0.836 1.00 10.00 H new ATOM 0 HB2 ASP A 64 6.848 -3.971 0.913 1.00 50.00 H new ATOM 0 HB3 ASP A 64 6.532 -3.978 -0.811 1.00 50.00 H new ATOM 1005 N LYS A 65 7.870 -0.393 -1.255 1.00 10.00 N ATOM 1006 CA LYS A 65 8.149 0.439 -2.419 1.00 10.00 C ATOM 1007 C LYS A 65 9.306 -0.123 -3.233 1.00 10.00 C ATOM 1008 O LYS A 65 9.880 -1.154 -2.885 1.00 50.00 O ATOM 1009 CB LYS A 65 8.457 1.874 -1.989 1.00 50.00 C ATOM 1010 CG LYS A 65 9.778 2.040 -1.248 1.00 50.00 C ATOM 1011 CD LYS A 65 10.171 3.505 -1.137 1.00 50.00 C ATOM 1012 CE LYS A 65 11.436 3.679 -0.311 1.00 50.00 C ATOM 1013 NZ LYS A 65 12.653 3.258 -1.060 1.00 50.00 N ATOM 0 H LYS A 65 8.469 -0.207 -0.451 1.00 10.00 H new ATOM 0 HA LYS A 65 7.259 0.441 -3.049 1.00 10.00 H new ATOM 0 HB2 LYS A 65 8.468 2.511 -2.874 1.00 50.00 H new ATOM 0 HB3 LYS A 65 7.649 2.230 -1.350 1.00 50.00 H new ATOM 0 HG2 LYS A 65 9.695 1.607 -0.251 1.00 50.00 H new ATOM 0 HG3 LYS A 65 10.561 1.490 -1.770 1.00 50.00 H new ATOM 0 HD2 LYS A 65 10.326 3.918 -2.134 1.00 50.00 H new ATOM 0 HD3 LYS A 65 9.357 4.068 -0.681 1.00 50.00 H new ATOM 0 HE2 LYS A 65 11.535 4.723 -0.015 1.00 50.00 H new ATOM 0 HE3 LYS A 65 11.354 3.095 0.606 1.00 50.00 H new ATOM 0 HZ1 LYS A 65 13.493 3.393 -0.462 1.00 50.00 H new ATOM 0 HZ2 LYS A 65 12.571 2.254 -1.320 1.00 50.00 H new ATOM 0 HZ3 LYS A 65 12.746 3.833 -1.922 1.00 50.00 H new ATOM 1027 N GLU A 66 9.647 0.562 -4.321 1.00 10.00 N ATOM 1028 CA GLU A 66 10.799 0.189 -5.132 1.00 10.00 C ATOM 1029 C GLU A 66 12.082 0.791 -4.576 1.00 10.00 C ATOM 1030 O GLU A 66 12.051 1.794 -3.863 1.00 50.00 O ATOM 1031 CB GLU A 66 10.596 0.629 -6.585 1.00 50.00 C ATOM 1032 CG GLU A 66 9.428 -0.045 -7.289 1.00 50.00 C ATOM 1033 CD GLU A 66 9.207 0.535 -8.657 1.00 50.00 C ATOM 1034 OE1 GLU A 66 10.136 0.560 -9.428 1.00 50.00 O ATOM 1035 OE2 GLU A 66 8.083 0.852 -8.973 1.00 50.00 O ATOM 0 H GLU A 66 9.140 1.379 -4.661 1.00 10.00 H new ATOM 0 HA GLU A 66 10.892 -0.897 -5.101 1.00 10.00 H new ATOM 0 HB2 GLU A 66 10.444 1.708 -6.607 1.00 50.00 H new ATOM 0 HB3 GLU A 66 11.509 0.424 -7.145 1.00 50.00 H new ATOM 0 HG2 GLU A 66 9.619 -1.115 -7.372 1.00 50.00 H new ATOM 0 HG3 GLU A 66 8.524 0.072 -6.692 1.00 50.00 H new ATOM 1042 N ASN A 67 13.212 0.173 -4.906 1.00 10.00 N ATOM 1043 CA ASN A 67 14.501 0.598 -4.376 1.00 10.00 C ATOM 1044 C ASN A 67 14.861 1.997 -4.859 1.00 10.00 C ATOM 1045 O ASN A 67 15.394 2.809 -4.101 1.00 50.00 O ATOM 1046 CB ASN A 67 15.601 -0.381 -4.739 1.00 50.00 C ATOM 1047 CG ASN A 67 15.540 -1.671 -3.970 1.00 50.00 C ATOM 1048 OD1 ASN A 67 14.935 -1.749 -2.895 1.00 50.00 O ATOM 1049 ND2 ASN A 67 16.233 -2.661 -4.473 1.00 50.00 N ATOM 0 H ASN A 67 13.260 -0.625 -5.539 1.00 10.00 H new ATOM 0 HA ASN A 67 14.410 0.620 -3.290 1.00 10.00 H new ATOM 0 HB2 ASN A 67 15.542 -0.601 -5.805 1.00 50.00 H new ATOM 0 HB3 ASN A 67 16.568 0.091 -4.563 1.00 50.00 H new ATOM 0 HD21 ASN A 67 16.292 -3.548 -3.973 1.00 50.00 H new ATOM 0 HD22 ASN A 67 16.714 -2.545 -5.365 1.00 50.00 H new ATOM 1056 N ASP A 68 14.568 2.274 -6.125 1.00 10.00 N ATOM 1057 CA ASP A 68 14.883 3.568 -6.719 1.00 10.00 C ATOM 1058 C ASP A 68 13.981 4.663 -6.163 1.00 10.00 C ATOM 1059 O ASP A 68 14.437 5.770 -5.879 1.00 50.00 O ATOM 1060 CB ASP A 68 14.753 3.505 -8.242 1.00 50.00 C ATOM 1061 CG ASP A 68 15.862 2.724 -8.937 1.00 50.00 C ATOM 1062 OD1 ASP A 68 16.849 2.439 -8.299 1.00 50.00 O ATOM 1063 OD2 ASP A 68 15.651 2.286 -10.041 1.00 50.00 O ATOM 0 H ASP A 68 14.112 1.619 -6.760 1.00 10.00 H new ATOM 0 HA ASP A 68 15.914 3.810 -6.461 1.00 10.00 H new ATOM 0 HB2 ASP A 68 13.794 3.053 -8.494 1.00 50.00 H new ATOM 0 HB3 ASP A 68 14.739 4.521 -8.636 1.00 50.00 H new ATOM 1068 N ALA A 69 12.699 4.347 -6.010 1.00 10.00 N ATOM 1069 CA ALA A 69 11.720 5.321 -5.545 1.00 10.00 C ATOM 1070 C ALA A 69 11.979 5.714 -4.095 1.00 10.00 C ATOM 1071 O ALA A 69 12.657 4.995 -3.360 1.00 50.00 O ATOM 1072 CB ALA A 69 10.310 4.774 -5.705 1.00 50.00 C ATOM 0 H ALA A 69 12.314 3.422 -6.202 1.00 10.00 H new ATOM 0 HA ALA A 69 11.819 6.217 -6.158 1.00 10.00 H new ATOM 0 HB1 ALA A 69 9.591 5.514 -5.353 1.00 50.00 H new ATOM 0 HB2 ALA A 69 10.121 4.556 -6.756 1.00 50.00 H new ATOM 0 HB3 ALA A 69 10.206 3.860 -5.120 1.00 50.00 H new ATOM 1078 N ASN A 70 11.437 6.856 -3.690 1.00 10.00 N ATOM 1079 CA ASN A 70 11.489 7.278 -2.297 1.00 10.00 C ATOM 1080 C ASN A 70 10.090 7.460 -1.721 1.00 10.00 C ATOM 1081 O ASN A 70 9.130 7.680 -2.459 1.00 50.00 O ATOM 1082 CB ASN A 70 12.294 8.554 -2.132 1.00 50.00 C ATOM 1083 CG ASN A 70 13.729 8.424 -2.561 1.00 50.00 C ATOM 1084 OD1 ASN A 70 14.525 7.720 -1.930 1.00 50.00 O ATOM 1085 ND2 ASN A 70 14.081 9.163 -3.583 1.00 50.00 N ATOM 0 H ASN A 70 10.955 7.508 -4.309 1.00 10.00 H new ATOM 0 HA ASN A 70 11.990 6.485 -1.741 1.00 10.00 H new ATOM 0 HB2 ASN A 70 11.822 9.348 -2.710 1.00 50.00 H new ATOM 0 HB3 ASN A 70 12.263 8.860 -1.086 1.00 50.00 H new ATOM 0 HD21 ASN A 70 15.053 9.175 -3.893 1.00 50.00 H new ATOM 0 HD22 ASN A 70 13.383 9.726 -4.069 1.00 50.00 H new ATOM 1092 N TRP A 71 9.981 7.367 -0.401 1.00 10.00 N ATOM 1093 CA TRP A 71 8.691 7.458 0.270 1.00 10.00 C ATOM 1094 C TRP A 71 8.096 8.855 0.134 1.00 10.00 C ATOM 1095 O TRP A 71 6.878 9.030 0.183 1.00 50.00 O ATOM 1096 CB TRP A 71 8.830 7.090 1.747 1.00 50.00 C ATOM 1097 CG TRP A 71 8.927 5.614 1.990 1.00 50.00 C ATOM 1098 CD1 TRP A 71 9.946 4.956 2.612 1.00 50.00 C ATOM 1099 CD2 TRP A 71 7.972 4.615 1.614 1.00 50.00 C ATOM 1100 NE1 TRP A 71 9.686 3.609 2.648 1.00 50.00 N ATOM 1101 CE2 TRP A 71 8.477 3.374 2.042 1.00 50.00 C ATOM 1102 CE3 TRP A 71 6.735 4.651 0.958 1.00 50.00 C ATOM 1103 CZ2 TRP A 71 7.797 2.184 1.836 1.00 50.00 C ATOM 1104 CZ3 TRP A 71 6.053 3.458 0.752 1.00 50.00 C ATOM 1105 CH2 TRP A 71 6.568 2.259 1.180 1.00 50.00 C ATOM 0 H TRP A 71 10.773 7.228 0.227 1.00 10.00 H new ATOM 0 HA TRP A 71 8.015 6.751 -0.210 1.00 10.00 H new ATOM 0 HB2 TRP A 71 9.718 7.576 2.152 1.00 50.00 H new ATOM 0 HB3 TRP A 71 7.973 7.484 2.294 1.00 50.00 H new ATOM 0 HD1 TRP A 71 10.830 5.426 3.018 1.00 50.00 H new ATOM 0 HE1 TRP A 71 10.292 2.899 3.058 1.00 50.00 H new ATOM 0 HE3 TRP A 71 6.319 5.588 0.619 1.00 50.00 H new ATOM 0 HZ2 TRP A 71 8.201 1.239 2.169 1.00 50.00 H new ATOM 0 HZ3 TRP A 71 5.099 3.474 0.245 1.00 50.00 H new ATOM 0 HH2 TRP A 71 6.008 1.352 1.005 1.00 50.00 H new ATOM 1116 N GLU A 72 8.964 9.847 -0.037 1.00 10.00 N ATOM 1117 CA GLU A 72 8.523 11.217 -0.271 1.00 10.00 C ATOM 1118 C GLU A 72 7.628 11.306 -1.501 1.00 10.00 C ATOM 1119 O GLU A 72 6.675 12.085 -1.532 1.00 50.00 O ATOM 1120 CB GLU A 72 9.728 12.147 -0.430 1.00 50.00 C ATOM 1121 CG GLU A 72 10.509 12.390 0.853 1.00 50.00 C ATOM 1122 CD GLU A 72 11.731 13.226 0.599 1.00 50.00 C ATOM 1123 OE1 GLU A 72 11.987 13.541 -0.538 1.00 50.00 O ATOM 1124 OE2 GLU A 72 12.348 13.647 1.550 1.00 75.00 O ATOM 0 H GLU A 72 9.977 9.727 -0.018 1.00 10.00 H new ATOM 0 HA GLU A 72 7.943 11.533 0.596 1.00 10.00 H new ATOM 0 HB2 GLU A 72 10.401 11.725 -1.176 1.00 50.00 H new ATOM 0 HB3 GLU A 72 9.383 13.105 -0.818 1.00 50.00 H new ATOM 0 HG2 GLU A 72 9.870 12.889 1.581 1.00 50.00 H new ATOM 0 HG3 GLU A 72 10.803 11.435 1.288 1.00 50.00 H new ATOM 1131 N THR A 73 7.940 10.504 -2.513 1.00 10.00 N ATOM 1132 CA THR A 73 7.098 10.403 -3.698 1.00 10.00 C ATOM 1133 C THR A 73 5.928 9.454 -3.465 1.00 10.00 C ATOM 1134 O THR A 73 4.779 9.788 -3.751 1.00 50.00 O ATOM 1135 CB THR A 73 7.899 9.922 -4.922 1.00 50.00 C ATOM 1136 OG1 THR A 73 8.947 10.859 -5.208 1.00 50.00 O ATOM 1137 CG2 THR A 73 6.994 9.795 -6.136 1.00 50.00 C ATOM 0 H THR A 73 8.771 9.914 -2.536 1.00 10.00 H new ATOM 0 HA THR A 73 6.716 11.404 -3.896 1.00 10.00 H new ATOM 0 HB THR A 73 8.326 8.945 -4.697 1.00 50.00 H new ATOM 0 HG1 THR A 73 9.457 10.551 -5.986 1.00 50.00 H new ATOM 0 HG21 THR A 73 7.578 9.454 -6.991 1.00 50.00 H new ATOM 0 HG22 THR A 73 6.203 9.075 -5.926 1.00 50.00 H new ATOM 0 HG23 THR A 73 6.551 10.765 -6.363 1.00 50.00 H new ATOM 1145 N VAL A 74 6.230 8.270 -2.945 1.00 10.00 N ATOM 1146 CA VAL A 74 5.273 7.169 -2.939 1.00 10.00 C ATOM 1147 C VAL A 74 4.087 7.476 -2.035 1.00 10.00 C ATOM 1148 O VAL A 74 2.933 7.328 -2.436 1.00 50.00 O ATOM 1149 CB VAL A 74 5.928 5.853 -2.482 1.00 50.00 C ATOM 1150 CG1 VAL A 74 4.874 4.772 -2.291 1.00 50.00 C ATOM 1151 CG2 VAL A 74 6.975 5.401 -3.488 1.00 50.00 C ATOM 0 H VAL A 74 7.131 8.047 -2.522 1.00 10.00 H new ATOM 0 HA VAL A 74 4.923 7.052 -3.965 1.00 10.00 H new ATOM 0 HB VAL A 74 6.421 6.028 -1.526 1.00 50.00 H new ATOM 0 HG11 VAL A 74 5.354 3.848 -1.968 1.00 50.00 H new ATOM 0 HG12 VAL A 74 4.157 5.092 -1.535 1.00 50.00 H new ATOM 0 HG13 VAL A 74 4.354 4.600 -3.234 1.00 50.00 H new ATOM 0 HG21 VAL A 74 7.427 4.469 -3.148 1.00 50.00 H new ATOM 0 HG22 VAL A 74 6.503 5.243 -4.458 1.00 50.00 H new ATOM 0 HG23 VAL A 74 7.746 6.166 -3.580 1.00 50.00 H new ATOM 1161 N LEU A 75 4.378 7.906 -0.811 1.00 10.00 N ATOM 1162 CA LEU A 75 3.384 7.912 0.256 1.00 10.00 C ATOM 1163 C LEU A 75 2.198 8.796 -0.103 1.00 50.00 C ATOM 1164 O LEU A 75 1.045 8.399 0.060 1.00 50.00 O ATOM 1165 CB LEU A 75 4.021 8.382 1.569 1.00 50.00 C ATOM 1166 CG LEU A 75 4.877 7.332 2.291 1.00 50.00 C ATOM 1167 CD1 LEU A 75 5.493 7.935 3.547 1.00 50.00 C ATOM 1168 CD2 LEU A 75 4.018 6.125 2.637 1.00 50.00 C ATOM 0 H LEU A 75 5.295 8.255 -0.534 1.00 10.00 H new ATOM 0 HA LEU A 75 3.017 6.894 0.384 1.00 10.00 H new ATOM 0 HB2 LEU A 75 4.642 9.254 1.362 1.00 50.00 H new ATOM 0 HB3 LEU A 75 3.229 8.708 2.243 1.00 50.00 H new ATOM 0 HG LEU A 75 5.686 7.009 1.636 1.00 50.00 H new ATOM 0 HD11 LEU A 75 6.098 7.183 4.053 1.00 50.00 H new ATOM 0 HD12 LEU A 75 6.121 8.783 3.273 1.00 50.00 H new ATOM 0 HD13 LEU A 75 4.700 8.272 4.215 1.00 50.00 H new ATOM 0 HD21 LEU A 75 4.627 5.380 3.150 1.00 50.00 H new ATOM 0 HD22 LEU A 75 3.200 6.435 3.287 1.00 50.00 H new ATOM 0 HD23 LEU A 75 3.611 5.694 1.722 1.00 50.00 H new ATOM 1180 N PRO A 76 2.486 9.998 -0.593 1.00 50.00 N ATOM 1181 CA PRO A 76 1.448 10.896 -1.082 1.00 50.00 C ATOM 1182 C PRO A 76 0.469 10.164 -1.989 1.00 50.00 C ATOM 1183 O PRO A 76 -0.744 10.331 -1.871 1.00 50.00 O ATOM 1184 CB PRO A 76 2.221 11.988 -1.829 1.00 50.00 C ATOM 1185 CG PRO A 76 3.523 12.080 -1.112 1.00 50.00 C ATOM 1186 CD PRO A 76 3.873 10.663 -0.738 1.00 50.00 C ATOM 0 HA PRO A 76 0.834 11.308 -0.281 1.00 50.00 H new ATOM 0 HB2 PRO A 76 2.363 11.727 -2.878 1.00 50.00 H new ATOM 0 HB3 PRO A 76 1.687 12.938 -1.806 1.00 50.00 H new ATOM 0 HG2 PRO A 76 4.292 12.520 -1.747 1.00 50.00 H new ATOM 0 HG3 PRO A 76 3.441 12.711 -0.227 1.00 50.00 H new ATOM 0 HD2 PRO A 76 4.476 10.179 -1.506 1.00 50.00 H new ATOM 0 HD3 PRO A 76 4.443 10.618 0.190 1.00 50.00 H new ATOM 1194 N LYS A 77 1.004 9.350 -2.894 1.00 50.00 N ATOM 1195 CA LYS A 77 0.180 8.631 -3.860 1.00 50.00 C ATOM 1196 C LYS A 77 -0.623 7.526 -3.185 1.00 50.00 C ATOM 1197 O LYS A 77 -1.810 7.355 -3.456 1.00 50.00 O ATOM 1198 CB LYS A 77 1.050 8.046 -4.973 1.00 50.00 C ATOM 1199 CG LYS A 77 1.682 9.085 -5.890 1.00 50.00 C ATOM 1200 CD LYS A 77 2.519 8.427 -6.976 1.00 50.00 C ATOM 1201 CE LYS A 77 3.215 9.465 -7.845 1.00 50.00 C ATOM 1202 NZ LYS A 77 4.026 8.836 -8.922 1.00 50.00 N ATOM 0 H LYS A 77 2.005 9.172 -2.979 1.00 50.00 H new ATOM 0 HA LYS A 77 -0.522 9.342 -4.296 1.00 50.00 H new ATOM 0 HB2 LYS A 77 1.842 7.448 -4.522 1.00 50.00 H new ATOM 0 HB3 LYS A 77 0.443 7.370 -5.575 1.00 50.00 H new ATOM 0 HG2 LYS A 77 0.901 9.692 -6.348 1.00 50.00 H new ATOM 0 HG3 LYS A 77 2.307 9.758 -5.304 1.00 50.00 H new ATOM 0 HD2 LYS A 77 3.263 7.775 -6.519 1.00 50.00 H new ATOM 0 HD3 LYS A 77 1.882 7.798 -7.598 1.00 50.00 H new ATOM 0 HE2 LYS A 77 2.470 10.124 -8.290 1.00 50.00 H new ATOM 0 HE3 LYS A 77 3.859 10.087 -7.222 1.00 50.00 H new ATOM 0 HZ1 LYS A 77 4.483 9.577 -9.490 1.00 50.00 H new ATOM 0 HZ2 LYS A 77 4.754 8.227 -8.497 1.00 50.00 H new ATOM 0 HZ3 LYS A 77 3.408 8.263 -9.532 1.00 50.00 H new ATOM 1216 N VAL A 78 0.035 6.778 -2.305 1.00 50.00 N ATOM 1217 CA VAL A 78 -0.633 5.735 -1.537 1.00 50.00 C ATOM 1218 C VAL A 78 -1.833 6.290 -0.781 1.00 50.00 C ATOM 1219 O VAL A 78 -2.935 5.746 -0.860 1.00 50.00 O ATOM 1220 CB VAL A 78 0.327 5.067 -0.535 1.00 50.00 C ATOM 1221 CG1 VAL A 78 -0.430 4.111 0.372 1.00 50.00 C ATOM 1222 CG2 VAL A 78 1.439 4.334 -1.271 1.00 50.00 C ATOM 0 H VAL A 78 1.031 6.875 -2.106 1.00 50.00 H new ATOM 0 HA VAL A 78 -0.973 4.988 -2.254 1.00 50.00 H new ATOM 0 HB VAL A 78 0.776 5.845 0.083 1.00 50.00 H new ATOM 0 HG11 VAL A 78 0.264 3.648 1.073 1.00 50.00 H new ATOM 0 HG12 VAL A 78 -1.192 4.660 0.925 1.00 50.00 H new ATOM 0 HG13 VAL A 78 -0.906 3.338 -0.231 1.00 50.00 H new ATOM 0 HG21 VAL A 78 2.108 3.868 -0.548 1.00 50.00 H new ATOM 0 HG22 VAL A 78 1.006 3.566 -1.912 1.00 50.00 H new ATOM 0 HG23 VAL A 78 2.000 5.042 -1.881 1.00 50.00 H new ATOM 1232 N GLU A 79 -1.614 7.377 -0.049 1.00 50.00 N ATOM 1233 CA GLU A 79 -2.689 8.042 0.676 1.00 50.00 C ATOM 1234 C GLU A 79 -3.850 8.383 -0.249 1.00 50.00 C ATOM 1235 O GLU A 79 -5.012 8.152 0.085 1.00 50.00 O ATOM 1236 CB GLU A 79 -2.171 9.308 1.360 1.00 50.00 C ATOM 1237 CG GLU A 79 -3.218 10.060 2.167 1.00 50.00 C ATOM 1238 CD GLU A 79 -2.636 11.287 2.813 1.00 50.00 C ATOM 1239 OE1 GLU A 79 -1.459 11.514 2.657 1.00 50.00 O ATOM 1240 OE2 GLU A 79 -3.385 12.056 3.366 1.00 50.00 O ATOM 0 H GLU A 79 -0.700 7.816 0.058 1.00 50.00 H new ATOM 0 HA GLU A 79 -3.053 7.352 1.438 1.00 50.00 H new ATOM 0 HB2 GLU A 79 -1.346 9.038 2.020 1.00 50.00 H new ATOM 0 HB3 GLU A 79 -1.766 9.977 0.601 1.00 50.00 H new ATOM 0 HG2 GLU A 79 -4.044 10.347 1.516 1.00 50.00 H new ATOM 0 HG3 GLU A 79 -3.629 9.403 2.934 1.00 50.00 H new ATOM 1247 N ALA A 80 -3.527 8.935 -1.414 1.00 50.00 N ATOM 1248 CA ALA A 80 -4.541 9.284 -2.402 1.00 50.00 C ATOM 1249 C ALA A 80 -5.396 8.077 -2.763 1.00 50.00 C ATOM 1250 O ALA A 80 -6.617 8.183 -2.888 1.00 50.00 O ATOM 1251 CB ALA A 80 -3.888 9.866 -3.647 1.00 50.00 C ATOM 0 H ALA A 80 -2.571 9.150 -1.697 1.00 50.00 H new ATOM 0 HA ALA A 80 -5.195 10.038 -1.963 1.00 50.00 H new ATOM 0 HB1 ALA A 80 -4.657 10.122 -4.376 1.00 50.00 H new ATOM 0 HB2 ALA A 80 -3.329 10.763 -3.379 1.00 50.00 H new ATOM 0 HB3 ALA A 80 -3.209 9.131 -4.079 1.00 50.00 H new ATOM 1257 N VAL A 81 -4.749 6.928 -2.930 1.00 50.00 N ATOM 1258 CA VAL A 81 -5.451 5.698 -3.280 1.00 50.00 C ATOM 1259 C VAL A 81 -6.415 5.281 -2.177 1.00 50.00 C ATOM 1260 O VAL A 81 -7.518 4.808 -2.448 1.00 50.00 O ATOM 1261 CB VAL A 81 -4.466 4.544 -3.550 1.00 50.00 C ATOM 1262 CG1 VAL A 81 -5.218 3.235 -3.731 1.00 50.00 C ATOM 1263 CG2 VAL A 81 -3.619 4.844 -4.778 1.00 50.00 C ATOM 0 H VAL A 81 -3.740 6.823 -2.829 1.00 50.00 H new ATOM 0 HA VAL A 81 -6.014 5.905 -4.190 1.00 50.00 H new ATOM 0 HB VAL A 81 -3.804 4.446 -2.689 1.00 50.00 H new ATOM 0 HG11 VAL A 81 -4.508 2.430 -3.921 1.00 50.00 H new ATOM 0 HG12 VAL A 81 -5.785 3.013 -2.827 1.00 50.00 H new ATOM 0 HG13 VAL A 81 -5.902 3.322 -4.575 1.00 50.00 H new ATOM 0 HG21 VAL A 81 -2.929 4.019 -4.954 1.00 50.00 H new ATOM 0 HG22 VAL A 81 -4.267 4.967 -5.646 1.00 50.00 H new ATOM 0 HG23 VAL A 81 -3.053 5.761 -4.615 1.00 50.00 H new ATOM 1273 N PHE A 82 -5.992 5.458 -0.930 1.00 50.00 N ATOM 1274 CA PHE A 82 -6.824 5.116 0.217 1.00 50.00 C ATOM 1275 C PHE A 82 -7.619 6.322 0.700 1.00 50.00 C ATOM 1276 O PHE A 82 -8.063 6.365 1.847 1.00 50.00 O ATOM 1277 CB PHE A 82 -5.963 4.563 1.356 1.00 50.00 C ATOM 1278 CG PHE A 82 -5.078 3.420 0.946 1.00 50.00 C ATOM 1279 CD1 PHE A 82 -5.416 2.614 -0.131 1.00 50.00 C ATOM 1280 CD2 PHE A 82 -3.909 3.146 1.638 1.00 50.00 C ATOM 1281 CE1 PHE A 82 -4.603 1.563 -0.508 1.00 50.00 C ATOM 1282 CE2 PHE A 82 -3.094 2.095 1.263 1.00 50.00 C ATOM 1283 CZ PHE A 82 -3.443 1.304 0.190 1.00 50.00 C ATOM 0 H PHE A 82 -5.076 5.837 -0.688 1.00 50.00 H new ATOM 0 HA PHE A 82 -7.530 4.348 -0.100 1.00 50.00 H new ATOM 0 HB2 PHE A 82 -5.343 5.366 1.753 1.00 50.00 H new ATOM 0 HB3 PHE A 82 -6.615 4.234 2.165 1.00 50.00 H new ATOM 0 HD1 PHE A 82 -6.325 2.810 -0.681 1.00 50.00 H new ATOM 0 HD2 PHE A 82 -3.631 3.762 2.481 1.00 50.00 H new ATOM 0 HE1 PHE A 82 -4.876 0.944 -1.350 1.00 50.00 H new ATOM 0 HE2 PHE A 82 -2.185 1.894 1.810 1.00 50.00 H new ATOM 0 HZ PHE A 82 -2.808 0.481 -0.104 1.00 50.00 H new ATOM 1293 N GLU A 83 -7.797 7.299 -0.182 1.00 50.00 N ATOM 1294 CA GLU A 83 -8.705 8.410 0.078 1.00 50.00 C ATOM 1295 C GLU A 83 -9.764 8.521 -1.013 1.00 50.00 C ATOM 1296 O GLU A 83 -10.317 9.596 -1.245 1.00 50.00 O ATOM 1297 CB GLU A 83 -7.927 9.722 0.191 1.00 50.00 C ATOM 1298 CG GLU A 83 -7.108 9.859 1.466 1.00 50.00 C ATOM 1299 CD GLU A 83 -7.990 10.103 2.658 1.00 75.00 C ATOM 1300 OE1 GLU A 83 -9.173 10.263 2.475 1.00 75.00 O ATOM 1301 OE2 GLU A 83 -7.503 10.020 3.760 1.00 75.00 O ATOM 0 H GLU A 83 -7.324 7.344 -1.084 1.00 50.00 H new ATOM 0 HA GLU A 83 -9.209 8.215 1.025 1.00 50.00 H new ATOM 0 HB2 GLU A 83 -7.260 9.810 -0.666 1.00 50.00 H new ATOM 0 HB3 GLU A 83 -8.630 10.553 0.134 1.00 50.00 H new ATOM 0 HG2 GLU A 83 -6.522 8.953 1.624 1.00 50.00 H new ATOM 0 HG3 GLU A 83 -6.401 10.682 1.360 1.00 50.00 H new ATOM 1308 N LEU A 84 -10.042 7.405 -1.678 1.00 50.00 N ATOM 1309 CA LEU A 84 -11.037 7.376 -2.744 1.00 75.00 C ATOM 1310 C LEU A 84 -12.450 7.453 -2.181 1.00 75.00 C ATOM 1311 O LEU A 84 -13.313 8.129 -2.741 1.00 75.00 O ATOM 1312 CB LEU A 84 -10.867 6.107 -3.590 1.00 75.00 C ATOM 1313 CG LEU A 84 -9.583 6.047 -4.426 1.00 75.00 C ATOM 1314 CD1 LEU A 84 -9.423 4.662 -5.036 1.00 75.00 C ATOM 1315 CD2 LEU A 84 -9.631 7.112 -5.512 1.00 75.00 C ATOM 0 H LEU A 84 -9.592 6.508 -1.497 1.00 50.00 H new ATOM 0 HA LEU A 84 -10.881 8.249 -3.378 1.00 75.00 H new ATOM 0 HB2 LEU A 84 -10.891 5.242 -2.927 1.00 75.00 H new ATOM 0 HB3 LEU A 84 -11.722 6.019 -4.260 1.00 75.00 H new ATOM 0 HG LEU A 84 -8.723 6.240 -3.785 1.00 75.00 H new ATOM 0 HD11 LEU A 84 -8.508 4.629 -5.628 1.00 75.00 H new ATOM 0 HD12 LEU A 84 -9.368 3.918 -4.241 1.00 75.00 H new ATOM 0 HD13 LEU A 84 -10.278 4.446 -5.677 1.00 75.00 H new ATOM 0 HD21 LEU A 84 -8.718 7.068 -6.105 1.00 75.00 H new ATOM 0 HD22 LEU A 84 -10.492 6.935 -6.157 1.00 75.00 H new ATOM 0 HD23 LEU A 84 -9.718 8.097 -5.052 1.00 75.00 H new ATOM 1327 N GLU A 85 -12.679 6.758 -1.073 1.00 75.00 N ATOM 1328 CA GLU A 85 -14.008 6.677 -0.480 1.00 75.00 C ATOM 1329 C GLU A 85 -15.024 6.135 -1.479 1.00 75.00 C ATOM 1330 O GLU A 85 -16.195 6.515 -1.457 1.00 75.00 O ATOM 1331 CB GLU A 85 -14.455 8.050 0.029 1.00 75.00 C ATOM 1332 CG GLU A 85 -13.549 8.649 1.093 1.00 75.00 C ATOM 1333 CD GLU A 85 -14.074 9.972 1.577 1.00 75.00 C ATOM 1334 OE1 GLU A 85 -15.088 10.404 1.082 1.00 75.00 O ATOM 1335 OE2 GLU A 85 -13.527 10.496 2.518 1.00 75.00 O ATOM 0 H GLU A 85 -11.960 6.242 -0.566 1.00 75.00 H new ATOM 0 HA GLU A 85 -13.954 5.988 0.363 1.00 75.00 H new ATOM 0 HB2 GLU A 85 -14.508 8.738 -0.815 1.00 75.00 H new ATOM 0 HB3 GLU A 85 -15.463 7.964 0.434 1.00 75.00 H new ATOM 0 HG2 GLU A 85 -13.466 7.959 1.933 1.00 75.00 H new ATOM 0 HG3 GLU A 85 -12.546 8.780 0.687 1.00 75.00 H new ATOM 1342 N HIS A 86 -14.568 5.246 -2.354 1.00 75.00 N ATOM 1343 CA HIS A 86 -15.453 4.579 -3.303 1.00 75.00 C ATOM 1344 C HIS A 86 -15.511 3.080 -3.044 1.00 75.00 C ATOM 1345 O HIS A 86 -16.145 2.335 -3.789 1.00 75.00 O ATOM 1346 CB HIS A 86 -15.004 4.847 -4.743 1.00 75.00 C ATOM 1347 CG HIS A 86 -15.029 6.295 -5.123 1.00 75.00 C ATOM 1348 ND1 HIS A 86 -16.189 7.042 -5.126 1.00 75.00 N ATOM 1349 CD2 HIS A 86 -14.040 7.131 -5.515 1.00 75.00 C ATOM 1350 CE1 HIS A 86 -15.909 8.278 -5.501 1.00 75.00 C ATOM 1351 NE2 HIS A 86 -14.614 8.358 -5.743 1.00 75.00 N ATOM 0 H HIS A 86 -13.589 4.970 -2.426 1.00 75.00 H new ATOM 0 HA HIS A 86 -16.454 4.988 -3.164 1.00 75.00 H new ATOM 0 HB2 HIS A 86 -13.992 4.463 -4.876 1.00 75.00 H new ATOM 0 HB3 HIS A 86 -15.648 4.291 -5.424 1.00 75.00 H new ATOM 0 HD2 HIS A 86 -12.995 6.881 -5.628 1.00 75.00 H new ATOM 0 HE1 HIS A 86 -16.620 9.086 -5.594 1.00 75.00 H new ATOM 0 HE2 HIS A 86 -14.119 9.196 -6.050 1.00 75.00 H new ATOM 1359 N HIS A 87 -14.842 2.642 -1.982 1.00 75.00 N ATOM 1360 CA HIS A 87 -14.636 1.219 -1.740 1.00 75.00 C ATOM 1361 C HIS A 87 -14.908 0.863 -0.283 1.00 75.00 C ATOM 1362 O HIS A 87 -13.981 0.625 0.491 1.00 75.00 O ATOM 1363 CB HIS A 87 -13.210 0.806 -2.122 1.00 75.00 C ATOM 1364 CG HIS A 87 -12.847 1.138 -3.536 1.00 75.00 C ATOM 1365 ND1 HIS A 87 -13.238 0.362 -4.607 1.00 75.00 N ATOM 1366 CD2 HIS A 87 -12.128 2.160 -4.055 1.00 75.00 C ATOM 1367 CE1 HIS A 87 -12.775 0.893 -5.724 1.00 75.00 C ATOM 1368 NE2 HIS A 87 -12.099 1.985 -5.417 1.00 75.00 N ATOM 0 H HIS A 87 -14.433 3.253 -1.275 1.00 75.00 H new ATOM 0 HA HIS A 87 -15.342 0.672 -2.365 1.00 75.00 H new ATOM 0 HB2 HIS A 87 -12.506 1.298 -1.450 1.00 75.00 H new ATOM 0 HB3 HIS A 87 -13.099 -0.268 -1.970 1.00 75.00 H new ATOM 0 HD2 HIS A 87 -11.664 2.963 -3.502 1.00 75.00 H new ATOM 0 HE1 HIS A 87 -12.924 0.501 -6.719 1.00 75.00 H new ATOM 0 HE2 HIS A 87 -11.631 2.599 -6.083 1.00 75.00 H new ATOM 1376 N HIS A 88 -16.185 0.828 0.082 1.00 75.00 N ATOM 1377 CA HIS A 88 -16.582 0.474 1.439 1.00 75.00 C ATOM 1378 C HIS A 88 -15.983 -0.861 1.858 1.00 75.00 C ATOM 1379 O HIS A 88 -15.414 -0.984 2.942 1.00 75.00 O ATOM 1380 CB HIS A 88 -18.109 0.424 1.559 1.00 75.00 C ATOM 1381 CG HIS A 88 -18.591 -0.016 2.907 1.00 75.00 C ATOM 1382 ND1 HIS A 88 -18.914 -1.326 3.190 1.00 75.00 N ATOM 1383 CD2 HIS A 88 -18.809 0.679 4.047 1.00 75.00 C ATOM 1384 CE1 HIS A 88 -19.306 -1.417 4.448 1.00 75.00 C ATOM 1385 NE2 HIS A 88 -19.252 -0.215 4.990 1.00 75.00 N ATOM 0 H HIS A 88 -16.962 1.040 -0.543 1.00 75.00 H new ATOM 0 HA HIS A 88 -16.200 1.246 2.107 1.00 75.00 H new ATOM 0 HB2 HIS A 88 -18.515 1.412 1.342 1.00 75.00 H new ATOM 0 HB3 HIS A 88 -18.502 -0.255 0.802 1.00 75.00 H new ATOM 0 HD2 HIS A 88 -18.662 1.739 4.189 1.00 75.00 H new ATOM 0 HE1 HIS A 88 -19.618 -2.322 4.948 1.00 75.00 H new ATOM 0 HE2 HIS A 88 -19.499 0.013 5.953 1.00 75.00 H new ATOM 1393 N HIS A 89 -16.113 -1.861 0.991 1.00 75.00 N ATOM 1394 CA HIS A 89 -15.533 -3.173 1.243 1.00 75.00 C ATOM 1395 C HIS A 89 -15.195 -3.886 -0.059 1.00 75.00 C ATOM 1396 O HIS A 89 -15.418 -3.351 -1.146 1.00 75.00 O ATOM 1397 CB HIS A 89 -16.487 -4.034 2.078 1.00 75.00 C ATOM 1398 CG HIS A 89 -17.756 -4.390 1.368 1.00 75.00 C ATOM 1399 ND1 HIS A 89 -18.853 -3.554 1.344 1.00 75.00 N ATOM 1400 CD2 HIS A 89 -18.102 -5.489 0.656 1.00 75.00 C ATOM 1401 CE1 HIS A 89 -19.820 -4.126 0.646 1.00 75.00 C ATOM 1402 NE2 HIS A 89 -19.390 -5.299 0.221 1.00 75.00 N ATOM 0 H HIS A 89 -16.616 -1.786 0.107 1.00 75.00 H new ATOM 0 HA HIS A 89 -14.609 -3.023 1.802 1.00 75.00 H new ATOM 0 HB2 HIS A 89 -15.974 -4.951 2.368 1.00 75.00 H new ATOM 0 HB3 HIS A 89 -16.733 -3.501 2.997 1.00 75.00 H new ATOM 0 HD1 HIS A 89 -18.909 -2.640 1.793 1.00 75.00 H new ATOM 0 HD2 HIS A 89 -17.481 -6.352 0.466 1.00 75.00 H new ATOM 0 HE1 HIS A 89 -20.796 -3.705 0.456 1.00 75.00 H new ATOM 0 HE2 HIS A 89 -19.928 -5.959 -0.341 1.00 75.00 H new ATOM 1410 N HIS A 90 -14.657 -5.096 0.056 1.00 75.00 N ATOM 1411 CA HIS A 90 -14.345 -5.910 -1.113 1.00 75.00 C ATOM 1412 C HIS A 90 -14.565 -7.390 -0.827 1.00 75.00 C ATOM 1413 O HIS A 90 -14.242 -7.878 0.256 1.00 75.00 O ATOM 1414 CB HIS A 90 -12.901 -5.674 -1.567 1.00 75.00 C ATOM 1415 CG HIS A 90 -12.545 -6.390 -2.833 1.00 75.00 C ATOM 1416 ND1 HIS A 90 -12.988 -5.976 -4.072 1.00 75.00 N ATOM 1417 CD2 HIS A 90 -11.791 -7.492 -3.052 1.00 75.00 C ATOM 1418 CE1 HIS A 90 -12.520 -6.794 -5.000 1.00 75.00 C ATOM 1419 NE2 HIS A 90 -11.790 -7.721 -4.406 1.00 75.00 N ATOM 0 H HIS A 90 -14.428 -5.535 0.948 1.00 75.00 H new ATOM 0 HA HIS A 90 -15.020 -5.610 -1.914 1.00 75.00 H new ATOM 0 HB2 HIS A 90 -12.744 -4.605 -1.708 1.00 75.00 H new ATOM 0 HB3 HIS A 90 -12.223 -5.994 -0.776 1.00 75.00 H new ATOM 0 HD2 HIS A 90 -11.285 -8.081 -2.302 1.00 75.00 H new ATOM 0 HE1 HIS A 90 -12.703 -6.717 -6.062 1.00 75.00 H new ATOM 0 HE2 HIS A 90 -11.304 -8.484 -4.877 1.00 75.00 H new ATOM 1427 N HIS A 91 -15.118 -8.100 -1.806 1.00 75.00 N ATOM 1428 CA HIS A 91 -15.416 -9.518 -1.647 1.00 75.00 C ATOM 1429 C HIS A 91 -14.287 -10.383 -2.193 1.00 75.00 C ATOM 1430 O HIS A 91 -13.301 -10.568 -1.535 1.00 75.00 O ATOM 1431 CB HIS A 91 -16.734 -9.875 -2.344 1.00 75.00 C ATOM 1432 CG HIS A 91 -17.921 -9.147 -1.796 1.00 75.00 C ATOM 1433 ND1 HIS A 91 -18.532 -9.506 -0.613 1.00 75.00 N ATOM 1434 CD2 HIS A 91 -18.610 -8.081 -2.268 1.00 75.00 C ATOM 1435 CE1 HIS A 91 -19.547 -8.691 -0.380 1.00 75.00 C ATOM 1436 NE2 HIS A 91 -19.615 -7.819 -1.369 1.00 75.00 N ATOM 1437 OXT HIS A 91 -14.385 -10.880 -3.281 1.00 75.00 O ATOM 0 H HIS A 91 -15.368 -7.716 -2.717 1.00 75.00 H new ATOM 0 HA HIS A 91 -15.515 -9.717 -0.580 1.00 75.00 H new ATOM 0 HB2 HIS A 91 -16.643 -9.655 -3.408 1.00 75.00 H new ATOM 0 HB3 HIS A 91 -16.903 -10.948 -2.254 1.00 75.00 H new ATOM 0 HD1 HIS A 91 -18.246 -10.279 -0.012 1.00 75.00 H new ATOM 0 HD2 HIS A 91 -18.407 -7.539 -3.180 1.00 75.00 H new ATOM 0 HE1 HIS A 91 -20.207 -8.732 0.474 1.00 75.00 H new TER 1445 HIS A 91