USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 857 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 84 GLN : amide:sc= -0.229 X(o=0.91,f=0.77) USER MOD Set 1.2: A 88 THR OG1 : rot 76:sc= 1.14 USER MOD Set 2.1: A 73 TYR OH : rot 120:sc= -0.362 USER MOD Set 2.2: A 76 LYS NZ :NH3+ 167:sc= 2.1 (180deg=1.78) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 161:sc= 1.32 (180deg=0.534) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -165:sc= 1.19 (180deg=0.756) USER MOD Single : A 14 GLN :FLIP amide:sc= 0 F(o=-0.71,f=0) USER MOD Single : A 16 LYS NZ :NH3+ -146:sc= 1.86 (180deg=1.16) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 25 MET CE :methyl -108:sc= -0.135 (180deg=-1.07) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-1.9) USER MOD Single : A 38 SER OG : rot 43:sc= 0.293 USER MOD Single : A 40 ASN : amide:sc= 0.345 K(o=0.34,f=-5.6!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 164:sc= 1.16 USER MOD Single : A 44 SER OG : rot -84:sc= 1.26 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot -158:sc= 0.0218 USER MOD Single : A 50 SER OG : rot 80:sc= 1.25 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HD1:sc= -0.512 K(o=-0.51,f=-6.9!) USER MOD Single : A 58 LYS NZ :NH3+ 164:sc= 1.32 (180deg=-0.198!) USER MOD Single : A 59 ASN :FLIP amide:sc= -0.137 F(o=-0.65,f=-0.14) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 130:sc= -0.0803 USER MOD Single : A 65 MET CE :methyl 156:sc= -1.66 (180deg=-2.56) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 ASN : amide:sc= -0.467 K(o=-0.47,f=-2.9!) USER MOD Single : A 89 THR OG1 : rot 75:sc= 1.66 USER MOD Single : A 91 LYS NZ :NH3+ 175:sc= 0.864 (180deg=0.651) USER MOD Single : A 94 HIS : no HD1:sc= -0.0698 X(o=-0.07,f=-0.0065) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=-0.0064) USER MOD Single : A 97 HIS : no HD1:sc= -0.0767 X(o=-0.077,f=-0.014) USER MOD Single : A 98 HIS : no HE2:sc= 1.06 K(o=1.1,f=-3.9!) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.093 18.101 2.104 1.00 0.00 N ATOM 2 CA MET A 1 -2.116 17.193 1.594 1.00 0.00 C ATOM 3 C MET A 1 -2.599 16.338 2.738 1.00 0.00 C ATOM 4 O MET A 1 -1.876 16.160 3.724 1.00 0.00 O ATOM 5 CB MET A 1 -1.567 16.294 0.465 1.00 0.00 C ATOM 6 CG MET A 1 -1.091 17.020 -0.802 1.00 0.00 C ATOM 7 SD MET A 1 0.323 18.110 -0.527 1.00 0.00 S ATOM 8 CE MET A 1 0.547 18.791 -2.178 1.00 0.00 C ATOM 0 H1 MET A 1 -0.525 18.465 1.312 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.548 18.895 2.597 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.475 17.591 2.767 1.00 0.00 H new ATOM 0 HA MET A 1 -2.934 17.779 1.175 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.734 15.714 0.862 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.344 15.584 0.183 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.826 16.279 -1.557 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.917 17.606 -1.206 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.387 19.486 -2.174 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.748 17.983 -2.881 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.358 19.317 -2.480 1.00 0.00 H new ATOM 20 N SER A 2 -3.791 15.816 2.638 1.00 0.00 N ATOM 21 CA SER A 2 -4.334 15.013 3.699 1.00 0.00 C ATOM 22 C SER A 2 -4.633 13.591 3.214 1.00 0.00 C ATOM 23 O SER A 2 -5.131 13.399 2.102 1.00 0.00 O ATOM 24 CB SER A 2 -5.596 15.682 4.240 1.00 0.00 C ATOM 25 OG SER A 2 -5.328 17.038 4.619 1.00 0.00 O ATOM 0 H SER A 2 -4.405 15.932 1.832 1.00 0.00 H new ATOM 0 HA SER A 2 -3.599 14.935 4.500 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.379 15.659 3.482 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.968 15.126 5.100 1.00 0.00 H new ATOM 0 HG SER A 2 -6.149 17.450 4.961 1.00 0.00 H new ATOM 31 N ILE A 3 -4.283 12.606 4.026 1.00 0.00 N ATOM 32 CA ILE A 3 -4.568 11.217 3.707 1.00 0.00 C ATOM 33 C ILE A 3 -5.268 10.525 4.893 1.00 0.00 C ATOM 34 O ILE A 3 -5.915 9.490 4.742 1.00 0.00 O ATOM 35 CB ILE A 3 -3.286 10.429 3.264 1.00 0.00 C ATOM 36 CG1 ILE A 3 -3.663 9.008 2.773 1.00 0.00 C ATOM 37 CG2 ILE A 3 -2.269 10.367 4.410 1.00 0.00 C ATOM 38 CD1 ILE A 3 -2.530 8.223 2.153 1.00 0.00 C ATOM 0 H ILE A 3 -3.800 12.744 4.914 1.00 0.00 H new ATOM 0 HA ILE A 3 -5.244 11.212 2.852 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.823 10.960 2.432 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -4.058 8.442 3.616 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -4.467 9.094 2.042 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -1.387 9.817 4.084 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -1.981 11.379 4.696 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -2.716 9.862 5.266 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.894 7.244 1.842 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.147 8.761 1.286 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -1.731 8.098 2.884 1.00 0.00 H new ATOM 50 N LEU A 4 -5.219 11.167 6.060 1.00 0.00 N ATOM 51 CA LEU A 4 -5.824 10.625 7.284 1.00 0.00 C ATOM 52 C LEU A 4 -7.350 10.759 7.262 1.00 0.00 C ATOM 53 O LEU A 4 -8.026 10.455 8.240 1.00 0.00 O ATOM 54 CB LEU A 4 -5.238 11.304 8.533 1.00 0.00 C ATOM 55 CG LEU A 4 -3.731 11.114 8.767 1.00 0.00 C ATOM 56 CD1 LEU A 4 -3.264 11.975 9.924 1.00 0.00 C ATOM 57 CD2 LEU A 4 -3.412 9.656 9.049 1.00 0.00 C ATOM 0 H LEU A 4 -4.763 12.071 6.187 1.00 0.00 H new ATOM 0 HA LEU A 4 -5.584 9.563 7.326 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -5.442 12.373 8.469 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -5.770 10.929 9.408 1.00 0.00 H new ATOM 0 HG LEU A 4 -3.206 11.419 7.862 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -2.195 11.829 10.077 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -3.459 13.024 9.699 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -3.802 11.692 10.829 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -2.340 9.543 9.212 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -3.950 9.331 9.939 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -3.716 9.046 8.198 1.00 0.00 H new ATOM 69 N GLU A 5 -7.875 11.207 6.129 1.00 0.00 N ATOM 70 CA GLU A 5 -9.302 11.306 5.908 1.00 0.00 C ATOM 71 C GLU A 5 -9.870 9.914 5.689 1.00 0.00 C ATOM 72 O GLU A 5 -11.066 9.681 5.865 1.00 0.00 O ATOM 73 CB GLU A 5 -9.594 12.117 4.647 1.00 0.00 C ATOM 74 CG GLU A 5 -9.113 13.554 4.643 1.00 0.00 C ATOM 75 CD GLU A 5 -9.493 14.246 3.352 1.00 0.00 C ATOM 76 OE1 GLU A 5 -10.664 14.646 3.195 1.00 0.00 O ATOM 77 OE2 GLU A 5 -8.652 14.369 2.453 1.00 0.00 O ATOM 0 H GLU A 5 -7.313 11.513 5.334 1.00 0.00 H new ATOM 0 HA GLU A 5 -9.750 11.788 6.777 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -9.142 11.603 3.798 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -10.672 12.117 4.483 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -9.546 14.089 5.488 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -8.031 13.580 4.770 1.00 0.00 H new ATOM 84 N ASP A 6 -9.003 8.998 5.306 1.00 0.00 N ATOM 85 CA ASP A 6 -9.416 7.667 4.945 1.00 0.00 C ATOM 86 C ASP A 6 -9.427 6.755 6.171 1.00 0.00 C ATOM 87 O ASP A 6 -8.404 6.623 6.864 1.00 0.00 O ATOM 88 CB ASP A 6 -8.486 7.093 3.891 1.00 0.00 C ATOM 89 CG ASP A 6 -9.066 5.865 3.252 1.00 0.00 C ATOM 90 OD1 ASP A 6 -8.983 4.781 3.846 1.00 0.00 O ATOM 91 OD2 ASP A 6 -9.652 5.999 2.146 1.00 0.00 O ATOM 0 H ASP A 6 -7.998 9.159 5.238 1.00 0.00 H new ATOM 0 HA ASP A 6 -10.426 7.724 4.539 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -8.293 7.845 3.126 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -7.526 6.848 4.346 1.00 0.00 H new ATOM 96 N PRO A 7 -10.574 6.122 6.469 1.00 0.00 N ATOM 97 CA PRO A 7 -10.707 5.244 7.622 1.00 0.00 C ATOM 98 C PRO A 7 -9.923 3.936 7.476 1.00 0.00 C ATOM 99 O PRO A 7 -9.462 3.370 8.470 1.00 0.00 O ATOM 100 CB PRO A 7 -12.208 4.940 7.703 1.00 0.00 C ATOM 101 CG PRO A 7 -12.866 5.845 6.723 1.00 0.00 C ATOM 102 CD PRO A 7 -11.829 6.226 5.716 1.00 0.00 C ATOM 0 HA PRO A 7 -10.305 5.724 8.515 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -12.407 3.895 7.464 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -12.587 5.114 8.710 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -13.707 5.346 6.241 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -13.263 6.729 7.221 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -11.839 5.557 4.856 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -11.988 7.235 5.337 1.00 0.00 H new ATOM 110 N GLU A 8 -9.740 3.467 6.257 1.00 0.00 N ATOM 111 CA GLU A 8 -9.038 2.221 6.060 1.00 0.00 C ATOM 112 C GLU A 8 -7.551 2.451 6.265 1.00 0.00 C ATOM 113 O GLU A 8 -6.838 1.583 6.766 1.00 0.00 O ATOM 114 CB GLU A 8 -9.336 1.610 4.688 1.00 0.00 C ATOM 115 CG GLU A 8 -10.817 1.307 4.446 1.00 0.00 C ATOM 116 CD GLU A 8 -11.425 0.353 5.465 1.00 0.00 C ATOM 117 OE1 GLU A 8 -11.281 -0.885 5.330 1.00 0.00 O ATOM 118 OE2 GLU A 8 -12.112 0.801 6.396 1.00 0.00 O ATOM 0 H GLU A 8 -10.063 3.923 5.404 1.00 0.00 H new ATOM 0 HA GLU A 8 -9.389 1.497 6.795 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -8.985 2.293 3.914 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -8.765 0.687 4.582 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -11.376 2.242 4.460 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -10.933 0.881 3.449 1.00 0.00 H new ATOM 125 N PHE A 9 -7.109 3.653 5.933 1.00 0.00 N ATOM 126 CA PHE A 9 -5.721 4.054 6.123 1.00 0.00 C ATOM 127 C PHE A 9 -5.346 4.039 7.609 1.00 0.00 C ATOM 128 O PHE A 9 -4.257 3.588 7.984 1.00 0.00 O ATOM 129 CB PHE A 9 -5.465 5.438 5.507 1.00 0.00 C ATOM 130 CG PHE A 9 -4.031 5.896 5.582 1.00 0.00 C ATOM 131 CD1 PHE A 9 -3.096 5.434 4.671 1.00 0.00 C ATOM 132 CD2 PHE A 9 -3.621 6.789 6.558 1.00 0.00 C ATOM 133 CE1 PHE A 9 -1.782 5.854 4.732 1.00 0.00 C ATOM 134 CE2 PHE A 9 -2.307 7.211 6.625 1.00 0.00 C ATOM 135 CZ PHE A 9 -1.388 6.744 5.712 1.00 0.00 C ATOM 0 H PHE A 9 -7.699 4.378 5.525 1.00 0.00 H new ATOM 0 HA PHE A 9 -5.086 3.332 5.609 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -5.774 5.420 4.462 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.095 6.170 6.013 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.398 4.737 3.904 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -4.337 7.160 7.276 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -1.063 5.487 4.014 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -2.001 7.906 7.393 1.00 0.00 H new ATOM 0 HZ PHE A 9 -0.361 7.073 5.762 1.00 0.00 H new ATOM 145 N VAL A 10 -6.248 4.502 8.464 1.00 0.00 N ATOM 146 CA VAL A 10 -5.976 4.492 9.891 1.00 0.00 C ATOM 147 C VAL A 10 -6.012 3.046 10.426 1.00 0.00 C ATOM 148 O VAL A 10 -5.255 2.679 11.327 1.00 0.00 O ATOM 149 CB VAL A 10 -6.876 5.469 10.725 1.00 0.00 C ATOM 150 CG1 VAL A 10 -8.330 5.056 10.755 1.00 0.00 C ATOM 151 CG2 VAL A 10 -6.330 5.654 12.132 1.00 0.00 C ATOM 0 H VAL A 10 -7.157 4.882 8.200 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.969 4.887 10.024 1.00 0.00 H new ATOM 0 HB VAL A 10 -6.840 6.430 10.212 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -8.899 5.772 11.347 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -8.723 5.033 9.738 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -8.418 4.065 11.201 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -6.975 6.336 12.686 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -6.300 4.690 12.640 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -5.323 6.068 12.080 1.00 0.00 H new ATOM 161 N LYS A 11 -6.887 2.226 9.853 1.00 0.00 N ATOM 162 CA LYS A 11 -6.933 0.808 10.172 1.00 0.00 C ATOM 163 C LYS A 11 -5.621 0.122 9.807 1.00 0.00 C ATOM 164 O LYS A 11 -5.169 -0.771 10.512 1.00 0.00 O ATOM 165 CB LYS A 11 -8.073 0.137 9.452 1.00 0.00 C ATOM 166 CG LYS A 11 -9.444 0.534 9.954 1.00 0.00 C ATOM 167 CD LYS A 11 -10.532 -0.017 9.051 1.00 0.00 C ATOM 168 CE LYS A 11 -10.391 -1.512 8.826 1.00 0.00 C ATOM 169 NZ LYS A 11 -11.332 -1.991 7.819 1.00 0.00 N ATOM 0 H LYS A 11 -7.576 2.523 9.162 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.088 0.717 11.247 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.005 0.372 8.390 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.962 -0.943 9.547 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.586 0.163 10.969 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.519 1.621 9.999 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -11.507 0.192 9.491 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.499 0.498 8.091 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.372 -1.739 8.511 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.560 -2.040 9.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.394 -3.028 7.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -12.270 -1.580 7.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.004 -1.707 6.874 1.00 0.00 H new ATOM 183 N LEU A 12 -5.011 0.555 8.715 1.00 0.00 N ATOM 184 CA LEU A 12 -3.710 0.038 8.291 1.00 0.00 C ATOM 185 C LEU A 12 -2.655 0.305 9.355 1.00 0.00 C ATOM 186 O LEU A 12 -1.793 -0.516 9.593 1.00 0.00 O ATOM 187 CB LEU A 12 -3.285 0.647 6.957 1.00 0.00 C ATOM 188 CG LEU A 12 -4.151 0.301 5.752 1.00 0.00 C ATOM 189 CD1 LEU A 12 -3.662 1.032 4.534 1.00 0.00 C ATOM 190 CD2 LEU A 12 -4.145 -1.192 5.498 1.00 0.00 C ATOM 0 H LEU A 12 -5.397 1.270 8.098 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.805 -1.040 8.157 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.267 1.731 7.066 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.263 0.331 6.746 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.174 0.611 5.966 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.289 0.776 3.680 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.710 2.106 4.711 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.631 0.744 4.326 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.770 -1.416 4.633 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.125 -1.524 5.305 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.536 -1.711 6.373 1.00 0.00 H new ATOM 202 N ARG A 13 -2.764 1.441 10.017 1.00 0.00 N ATOM 203 CA ARG A 13 -1.865 1.800 11.113 1.00 0.00 C ATOM 204 C ARG A 13 -2.048 0.833 12.291 1.00 0.00 C ATOM 205 O ARG A 13 -1.106 0.552 13.040 1.00 0.00 O ATOM 206 CB ARG A 13 -2.133 3.239 11.562 1.00 0.00 C ATOM 207 CG ARG A 13 -1.773 4.298 10.532 1.00 0.00 C ATOM 208 CD ARG A 13 -0.267 4.461 10.427 1.00 0.00 C ATOM 209 NE ARG A 13 0.126 5.382 9.347 1.00 0.00 N ATOM 210 CZ ARG A 13 0.725 6.564 9.529 1.00 0.00 C ATOM 211 NH1 ARG A 13 0.803 7.095 10.747 1.00 0.00 N ATOM 212 NH2 ARG A 13 1.195 7.235 8.478 1.00 0.00 N ATOM 0 H ARG A 13 -3.475 2.144 9.816 1.00 0.00 H new ATOM 0 HA ARG A 13 -0.836 1.727 10.761 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -3.189 3.338 11.812 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -1.570 3.432 12.475 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -2.181 4.020 9.560 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.228 5.249 10.808 1.00 0.00 H new ATOM 0 HD2 ARG A 13 0.122 4.831 11.375 1.00 0.00 H new ATOM 0 HD3 ARG A 13 0.190 3.487 10.253 1.00 0.00 H new ATOM 0 HE ARG A 13 -0.074 5.097 8.388 1.00 0.00 H new ATOM 0 HH11 ARG A 13 0.405 6.600 11.545 1.00 0.00 H new ATOM 0 HH12 ARG A 13 1.261 7.997 10.882 1.00 0.00 H new ATOM 0 HH21 ARG A 13 1.097 6.847 7.540 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.653 8.137 8.612 1.00 0.00 H new ATOM 226 N GLN A 14 -3.256 0.306 12.420 1.00 0.00 N ATOM 227 CA GLN A 14 -3.583 -0.636 13.478 1.00 0.00 C ATOM 228 C GLN A 14 -3.010 -2.023 13.159 1.00 0.00 C ATOM 229 O GLN A 14 -2.553 -2.736 14.055 1.00 0.00 O ATOM 230 CB GLN A 14 -5.101 -0.714 13.691 1.00 0.00 C ATOM 231 CG GLN A 14 -5.759 0.630 13.986 1.00 0.00 C ATOM 232 CD GLN A 14 -7.266 0.543 14.218 1.00 0.00 C ATOM 233 OE1 GLN A 14 -7.917 -0.422 13.625 1.00 0.00 O flip ATOM 234 NE2 GLN A 14 -7.838 1.348 14.952 1.00 0.00 N flip ATOM 0 H GLN A 14 -4.035 0.519 11.796 1.00 0.00 H new ATOM 0 HA GLN A 14 -3.130 -0.280 14.403 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -5.560 -1.143 12.801 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -5.307 -1.396 14.516 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -5.290 1.067 14.867 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.568 1.308 13.154 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -7.307 2.093 15.404 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -8.843 1.270 15.109 1.00 0.00 H new ATOM 243 N PHE A 15 -3.023 -2.397 11.890 1.00 0.00 N ATOM 244 CA PHE A 15 -2.468 -3.673 11.458 1.00 0.00 C ATOM 245 C PHE A 15 -0.949 -3.614 11.358 1.00 0.00 C ATOM 246 O PHE A 15 -0.257 -4.597 11.657 1.00 0.00 O ATOM 247 CB PHE A 15 -3.011 -4.077 10.080 1.00 0.00 C ATOM 248 CG PHE A 15 -4.433 -4.567 10.035 1.00 0.00 C ATOM 249 CD1 PHE A 15 -4.724 -5.896 10.295 1.00 0.00 C ATOM 250 CD2 PHE A 15 -5.470 -3.717 9.706 1.00 0.00 C ATOM 251 CE1 PHE A 15 -6.022 -6.362 10.232 1.00 0.00 C ATOM 252 CE2 PHE A 15 -6.770 -4.177 9.637 1.00 0.00 C ATOM 253 CZ PHE A 15 -7.046 -5.500 9.900 1.00 0.00 C ATOM 0 H PHE A 15 -3.414 -1.833 11.136 1.00 0.00 H new ATOM 0 HA PHE A 15 -2.763 -4.406 12.208 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -2.925 -3.218 9.414 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -2.368 -4.859 9.676 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -3.925 -6.576 10.550 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -5.261 -2.678 9.500 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -6.235 -7.400 10.442 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -7.570 -3.499 9.377 1.00 0.00 H new ATOM 0 HZ PHE A 15 -8.062 -5.862 9.846 1.00 0.00 H new ATOM 263 N LYS A 16 -0.455 -2.458 10.938 1.00 0.00 N ATOM 264 CA LYS A 16 0.943 -2.224 10.607 1.00 0.00 C ATOM 265 C LYS A 16 1.289 -2.860 9.294 1.00 0.00 C ATOM 266 O LYS A 16 1.223 -2.211 8.280 1.00 0.00 O ATOM 267 CB LYS A 16 1.962 -2.571 11.717 1.00 0.00 C ATOM 268 CG LYS A 16 2.260 -1.436 12.682 1.00 0.00 C ATOM 269 CD LYS A 16 2.911 -0.264 11.956 1.00 0.00 C ATOM 270 CE LYS A 16 3.341 0.822 12.912 1.00 0.00 C ATOM 271 NZ LYS A 16 3.895 1.998 12.204 1.00 0.00 N ATOM 0 H LYS A 16 -1.036 -1.629 10.814 1.00 0.00 H new ATOM 0 HA LYS A 16 1.037 -1.142 10.514 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.585 -3.422 12.284 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.895 -2.887 11.249 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.337 -1.107 13.159 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.919 -1.790 13.474 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.777 -0.619 11.397 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.210 0.148 11.230 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.488 1.131 13.516 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.090 0.426 13.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.653 2.422 12.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.280 1.700 11.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.142 2.699 12.053 1.00 0.00 H new ATOM 285 N GLY A 17 1.583 -4.128 9.297 1.00 0.00 N ATOM 286 CA GLY A 17 1.948 -4.755 8.068 1.00 0.00 C ATOM 287 C GLY A 17 1.524 -6.185 7.993 1.00 0.00 C ATOM 288 O GLY A 17 0.570 -6.506 7.296 1.00 0.00 O ATOM 0 H GLY A 17 1.577 -4.733 10.118 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.501 -4.205 7.240 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.029 -4.696 7.943 1.00 0.00 H new ATOM 292 N LYS A 18 2.245 -7.056 8.733 1.00 0.00 N ATOM 293 CA LYS A 18 2.052 -8.532 8.725 1.00 0.00 C ATOM 294 C LYS A 18 2.470 -9.143 7.371 1.00 0.00 C ATOM 295 O LYS A 18 2.346 -10.354 7.134 1.00 0.00 O ATOM 296 CB LYS A 18 0.613 -8.880 9.082 1.00 0.00 C ATOM 297 CG LYS A 18 0.226 -8.475 10.501 1.00 0.00 C ATOM 298 CD LYS A 18 -1.274 -8.304 10.630 1.00 0.00 C ATOM 299 CE LYS A 18 -2.045 -9.570 10.268 1.00 0.00 C ATOM 300 NZ LYS A 18 -1.813 -10.679 11.222 1.00 0.00 N ATOM 0 H LYS A 18 2.989 -6.754 9.363 1.00 0.00 H new ATOM 0 HA LYS A 18 2.700 -8.969 9.484 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.057 -8.389 8.376 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.467 -9.954 8.966 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.571 -9.232 11.205 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.725 -7.543 10.765 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.516 -8.016 11.653 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.599 -7.488 9.984 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.111 -9.343 10.235 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.756 -9.892 9.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.361 -11.512 10.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.801 -10.918 11.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.114 -10.387 12.174 1.00 0.00 H new ATOM 314 N VAL A 19 3.023 -8.296 6.545 1.00 0.00 N ATOM 315 CA VAL A 19 3.460 -8.605 5.208 1.00 0.00 C ATOM 316 C VAL A 19 4.910 -8.215 5.091 1.00 0.00 C ATOM 317 O VAL A 19 5.442 -7.517 5.985 1.00 0.00 O ATOM 318 CB VAL A 19 2.653 -7.782 4.160 1.00 0.00 C ATOM 319 CG1 VAL A 19 1.207 -8.202 4.137 1.00 0.00 C ATOM 320 CG2 VAL A 19 2.743 -6.291 4.464 1.00 0.00 C ATOM 0 H VAL A 19 3.190 -7.322 6.798 1.00 0.00 H new ATOM 0 HA VAL A 19 3.310 -9.668 5.019 1.00 0.00 H new ATOM 0 HB VAL A 19 3.091 -7.977 3.181 1.00 0.00 H new ATOM 0 HG11 VAL A 19 0.668 -7.611 3.397 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.139 -9.258 3.877 1.00 0.00 H new ATOM 0 HG13 VAL A 19 0.766 -8.041 5.121 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.173 -5.733 3.721 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.335 -6.097 5.456 1.00 0.00 H new ATOM 0 HG23 VAL A 19 3.786 -5.976 4.433 1.00 0.00 H new ATOM 330 N ASN A 20 5.566 -8.638 4.035 1.00 0.00 N ATOM 331 CA ASN A 20 6.949 -8.228 3.827 1.00 0.00 C ATOM 332 C ASN A 20 6.985 -6.801 3.369 1.00 0.00 C ATOM 333 O ASN A 20 6.383 -6.462 2.340 1.00 0.00 O ATOM 334 CB ASN A 20 7.698 -9.092 2.788 1.00 0.00 C ATOM 335 CG ASN A 20 7.829 -10.545 3.184 1.00 0.00 C ATOM 336 OD1 ASN A 20 7.848 -10.886 4.369 1.00 0.00 O ATOM 337 ND2 ASN A 20 7.943 -11.408 2.212 1.00 0.00 N ATOM 0 H ASN A 20 5.182 -9.252 3.317 1.00 0.00 H new ATOM 0 HA ASN A 20 7.454 -8.356 4.785 1.00 0.00 H new ATOM 0 HB2 ASN A 20 7.175 -9.031 1.834 1.00 0.00 H new ATOM 0 HB3 ASN A 20 8.694 -8.676 2.633 1.00 0.00 H new ATOM 0 HD21 ASN A 20 8.052 -12.400 2.421 1.00 0.00 H new ATOM 0 HD22 ASN A 20 7.923 -11.090 1.243 1.00 0.00 H new ATOM 344 N PHE A 21 7.677 -5.960 4.122 1.00 0.00 N ATOM 345 CA PHE A 21 7.886 -4.563 3.753 1.00 0.00 C ATOM 346 C PHE A 21 8.515 -4.507 2.375 1.00 0.00 C ATOM 347 O PHE A 21 8.122 -3.714 1.527 1.00 0.00 O ATOM 348 CB PHE A 21 8.810 -3.871 4.782 1.00 0.00 C ATOM 349 CG PHE A 21 9.247 -2.483 4.386 1.00 0.00 C ATOM 350 CD1 PHE A 21 8.452 -1.395 4.644 1.00 0.00 C ATOM 351 CD2 PHE A 21 10.459 -2.284 3.734 1.00 0.00 C ATOM 352 CE1 PHE A 21 8.846 -0.129 4.268 1.00 0.00 C ATOM 353 CE2 PHE A 21 10.856 -1.026 3.349 1.00 0.00 C ATOM 354 CZ PHE A 21 10.051 0.056 3.616 1.00 0.00 C ATOM 0 H PHE A 21 8.111 -6.224 5.007 1.00 0.00 H new ATOM 0 HA PHE A 21 6.928 -4.043 3.743 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.292 -3.817 5.740 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.695 -4.489 4.932 1.00 0.00 H new ATOM 0 HD1 PHE A 21 7.506 -1.532 5.148 1.00 0.00 H new ATOM 0 HD2 PHE A 21 11.097 -3.130 3.527 1.00 0.00 H new ATOM 0 HE1 PHE A 21 8.213 0.719 4.483 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.797 -0.888 2.838 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.359 1.047 3.317 1.00 0.00 H new ATOM 364 N ASN A 22 9.460 -5.409 2.170 1.00 0.00 N ATOM 365 CA ASN A 22 10.201 -5.553 0.927 1.00 0.00 C ATOM 366 C ASN A 22 9.265 -5.777 -0.230 1.00 0.00 C ATOM 367 O ASN A 22 9.424 -5.195 -1.310 1.00 0.00 O ATOM 368 CB ASN A 22 11.075 -6.772 1.021 1.00 0.00 C ATOM 369 CG ASN A 22 12.030 -6.906 -0.133 1.00 0.00 C ATOM 370 OD1 ASN A 22 11.724 -7.495 -1.172 1.00 0.00 O ATOM 371 ND2 ASN A 22 13.182 -6.395 0.053 1.00 0.00 N ATOM 0 H ASN A 22 9.741 -6.081 2.884 1.00 0.00 H new ATOM 0 HA ASN A 22 10.782 -4.644 0.770 1.00 0.00 H new ATOM 0 HB2 ASN A 22 11.642 -6.734 1.951 1.00 0.00 H new ATOM 0 HB3 ASN A 22 10.445 -7.660 1.068 1.00 0.00 H new ATOM 0 HD21 ASN A 22 13.894 -6.465 -0.674 1.00 0.00 H new ATOM 0 HD22 ASN A 22 13.392 -5.916 0.929 1.00 0.00 H new ATOM 378 N LEU A 23 8.279 -6.602 0.013 1.00 0.00 N ATOM 379 CA LEU A 23 7.369 -6.990 -1.001 1.00 0.00 C ATOM 380 C LEU A 23 6.394 -5.880 -1.293 1.00 0.00 C ATOM 381 O LEU A 23 6.160 -5.586 -2.435 1.00 0.00 O ATOM 382 CB LEU A 23 6.668 -8.287 -0.626 1.00 0.00 C ATOM 383 CG LEU A 23 5.762 -8.912 -1.682 1.00 0.00 C ATOM 384 CD1 LEU A 23 6.504 -9.093 -2.993 1.00 0.00 C ATOM 385 CD2 LEU A 23 5.294 -10.250 -1.195 1.00 0.00 C ATOM 0 H LEU A 23 8.095 -7.017 0.926 1.00 0.00 H new ATOM 0 HA LEU A 23 7.926 -7.179 -1.919 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.430 -9.019 -0.356 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.071 -8.104 0.268 1.00 0.00 H new ATOM 0 HG LEU A 23 4.913 -8.249 -1.851 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.837 -9.540 -3.730 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.846 -8.123 -3.354 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.363 -9.746 -2.838 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.645 -10.704 -1.945 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.155 -10.896 -1.022 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.741 -10.125 -0.264 1.00 0.00 H new ATOM 397 N VAL A 24 5.874 -5.224 -0.257 1.00 0.00 N ATOM 398 CA VAL A 24 4.944 -4.099 -0.465 1.00 0.00 C ATOM 399 C VAL A 24 5.659 -2.961 -1.183 1.00 0.00 C ATOM 400 O VAL A 24 5.104 -2.337 -2.084 1.00 0.00 O ATOM 401 CB VAL A 24 4.330 -3.577 0.854 1.00 0.00 C ATOM 402 CG1 VAL A 24 3.350 -2.434 0.593 1.00 0.00 C ATOM 403 CG2 VAL A 24 3.628 -4.688 1.575 1.00 0.00 C ATOM 0 H VAL A 24 6.071 -5.441 0.720 1.00 0.00 H new ATOM 0 HA VAL A 24 4.123 -4.475 -1.076 1.00 0.00 H new ATOM 0 HB VAL A 24 5.143 -3.199 1.474 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.934 -2.088 1.539 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.872 -1.612 0.103 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.543 -2.786 -0.050 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.200 -4.307 2.502 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.832 -5.085 0.945 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.340 -5.481 1.803 1.00 0.00 H new ATOM 413 N MET A 25 6.911 -2.744 -0.811 1.00 0.00 N ATOM 414 CA MET A 25 7.760 -1.743 -1.443 1.00 0.00 C ATOM 415 C MET A 25 7.914 -2.054 -2.938 1.00 0.00 C ATOM 416 O MET A 25 7.976 -1.149 -3.772 1.00 0.00 O ATOM 417 CB MET A 25 9.122 -1.694 -0.723 1.00 0.00 C ATOM 418 CG MET A 25 10.113 -0.694 -1.278 1.00 0.00 C ATOM 419 SD MET A 25 11.676 -0.686 -0.372 1.00 0.00 S ATOM 420 CE MET A 25 12.289 -2.341 -0.709 1.00 0.00 C ATOM 0 H MET A 25 7.370 -3.259 -0.059 1.00 0.00 H new ATOM 0 HA MET A 25 7.300 -0.759 -1.359 1.00 0.00 H new ATOM 0 HB2 MET A 25 8.950 -1.464 0.329 1.00 0.00 H new ATOM 0 HB3 MET A 25 9.571 -2.686 -0.763 1.00 0.00 H new ATOM 0 HG2 MET A 25 10.306 -0.923 -2.326 1.00 0.00 H new ATOM 0 HG3 MET A 25 9.674 0.303 -1.246 1.00 0.00 H new ATOM 0 HE1 MET A 25 12.212 -2.948 0.193 1.00 0.00 H new ATOM 0 HE2 MET A 25 11.696 -2.794 -1.503 1.00 0.00 H new ATOM 0 HE3 MET A 25 13.332 -2.286 -1.021 1.00 0.00 H new ATOM 430 N GLN A 26 7.954 -3.335 -3.261 1.00 0.00 N ATOM 431 CA GLN A 26 7.978 -3.785 -4.646 1.00 0.00 C ATOM 432 C GLN A 26 6.577 -3.656 -5.279 1.00 0.00 C ATOM 433 O GLN A 26 6.466 -3.211 -6.385 1.00 0.00 O ATOM 434 CB GLN A 26 8.488 -5.230 -4.727 1.00 0.00 C ATOM 435 CG GLN A 26 8.446 -5.854 -6.120 1.00 0.00 C ATOM 436 CD GLN A 26 8.897 -7.301 -6.110 1.00 0.00 C ATOM 437 OE1 GLN A 26 8.746 -8.008 -5.113 1.00 0.00 O ATOM 438 NE2 GLN A 26 9.423 -7.769 -7.203 1.00 0.00 N ATOM 0 H GLN A 26 7.971 -4.091 -2.576 1.00 0.00 H new ATOM 0 HA GLN A 26 8.662 -3.151 -5.210 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.516 -5.257 -4.364 1.00 0.00 H new ATOM 0 HB3 GLN A 26 7.895 -5.847 -4.051 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.431 -5.794 -6.513 1.00 0.00 H new ATOM 0 HG3 GLN A 26 9.083 -5.281 -6.793 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.537 -7.162 -8.015 1.00 0.00 H new ATOM 0 HE22 GLN A 26 9.722 -8.743 -7.249 1.00 0.00 H new ATOM 447 N ILE A 27 5.523 -4.018 -4.534 1.00 0.00 N ATOM 448 CA ILE A 27 4.116 -3.943 -5.017 1.00 0.00 C ATOM 449 C ILE A 27 3.802 -2.520 -5.470 1.00 0.00 C ATOM 450 O ILE A 27 3.355 -2.286 -6.599 1.00 0.00 O ATOM 451 CB ILE A 27 3.088 -4.328 -3.879 1.00 0.00 C ATOM 452 CG1 ILE A 27 3.283 -5.770 -3.365 1.00 0.00 C ATOM 453 CG2 ILE A 27 1.634 -4.105 -4.313 1.00 0.00 C ATOM 454 CD1 ILE A 27 3.092 -6.850 -4.402 1.00 0.00 C ATOM 0 H ILE A 27 5.610 -4.371 -3.581 1.00 0.00 H new ATOM 0 HA ILE A 27 4.018 -4.648 -5.842 1.00 0.00 H new ATOM 0 HB ILE A 27 3.300 -3.653 -3.050 1.00 0.00 H new ATOM 0 HG12 ILE A 27 4.287 -5.859 -2.951 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.584 -5.945 -2.547 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.965 -4.383 -3.499 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.486 -3.054 -4.562 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.417 -4.719 -5.187 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.250 -7.826 -3.944 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.079 -6.796 -4.801 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.809 -6.708 -5.211 1.00 0.00 H new ATOM 466 N LEU A 28 4.099 -1.583 -4.597 1.00 0.00 N ATOM 467 CA LEU A 28 3.855 -0.176 -4.835 1.00 0.00 C ATOM 468 C LEU A 28 4.702 0.333 -5.991 1.00 0.00 C ATOM 469 O LEU A 28 4.271 1.173 -6.764 1.00 0.00 O ATOM 470 CB LEU A 28 4.174 0.603 -3.572 1.00 0.00 C ATOM 471 CG LEU A 28 3.368 0.227 -2.331 1.00 0.00 C ATOM 472 CD1 LEU A 28 3.925 0.928 -1.120 1.00 0.00 C ATOM 473 CD2 LEU A 28 1.900 0.573 -2.509 1.00 0.00 C ATOM 0 H LEU A 28 4.522 -1.779 -3.690 1.00 0.00 H new ATOM 0 HA LEU A 28 2.807 -0.037 -5.100 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.232 0.473 -3.346 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.019 1.663 -3.774 1.00 0.00 H new ATOM 0 HG LEU A 28 3.447 -0.850 -2.187 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.343 0.653 -0.240 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.964 0.633 -0.974 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.872 2.007 -1.267 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.349 0.295 -1.611 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.797 1.644 -2.681 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.499 0.028 -3.364 1.00 0.00 H new ATOM 485 N ASP A 29 5.889 -0.210 -6.115 1.00 0.00 N ATOM 486 CA ASP A 29 6.816 0.182 -7.172 1.00 0.00 C ATOM 487 C ASP A 29 6.334 -0.353 -8.510 1.00 0.00 C ATOM 488 O ASP A 29 6.298 0.350 -9.519 1.00 0.00 O ATOM 489 CB ASP A 29 8.190 -0.407 -6.891 1.00 0.00 C ATOM 490 CG ASP A 29 9.250 0.173 -7.795 1.00 0.00 C ATOM 491 OD1 ASP A 29 9.577 1.374 -7.653 1.00 0.00 O ATOM 492 OD2 ASP A 29 9.774 -0.549 -8.662 1.00 0.00 O ATOM 0 H ASP A 29 6.247 -0.935 -5.493 1.00 0.00 H new ATOM 0 HA ASP A 29 6.869 1.270 -7.203 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.459 -0.220 -5.851 1.00 0.00 H new ATOM 0 HB3 ASP A 29 8.154 -1.489 -7.022 1.00 0.00 H new ATOM 497 N GLU A 30 5.937 -1.595 -8.474 1.00 0.00 N ATOM 498 CA GLU A 30 5.526 -2.358 -9.624 1.00 0.00 C ATOM 499 C GLU A 30 4.234 -1.778 -10.236 1.00 0.00 C ATOM 500 O GLU A 30 4.081 -1.743 -11.466 1.00 0.00 O ATOM 501 CB GLU A 30 5.351 -3.811 -9.184 1.00 0.00 C ATOM 502 CG GLU A 30 5.467 -4.847 -10.274 1.00 0.00 C ATOM 503 CD GLU A 30 5.365 -6.249 -9.718 1.00 0.00 C ATOM 504 OE1 GLU A 30 6.357 -6.762 -9.150 1.00 0.00 O ATOM 505 OE2 GLU A 30 4.312 -6.872 -9.850 1.00 0.00 O ATOM 0 H GLU A 30 5.888 -2.128 -7.605 1.00 0.00 H new ATOM 0 HA GLU A 30 6.283 -2.307 -10.407 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.096 -4.031 -8.419 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.372 -3.913 -8.715 1.00 0.00 H new ATOM 0 HG2 GLU A 30 4.681 -4.689 -11.013 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.419 -4.728 -10.791 1.00 0.00 H new ATOM 512 N ILE A 31 3.311 -1.315 -9.389 1.00 0.00 N ATOM 513 CA ILE A 31 2.097 -0.671 -9.901 1.00 0.00 C ATOM 514 C ILE A 31 2.441 0.708 -10.472 1.00 0.00 C ATOM 515 O ILE A 31 1.928 1.105 -11.507 1.00 0.00 O ATOM 516 CB ILE A 31 0.954 -0.529 -8.834 1.00 0.00 C ATOM 517 CG1 ILE A 31 1.399 0.314 -7.632 1.00 0.00 C ATOM 518 CG2 ILE A 31 0.462 -1.890 -8.374 1.00 0.00 C ATOM 519 CD1 ILE A 31 0.335 0.527 -6.588 1.00 0.00 C ATOM 0 H ILE A 31 3.376 -1.371 -8.373 1.00 0.00 H new ATOM 0 HA ILE A 31 1.711 -1.327 -10.681 1.00 0.00 H new ATOM 0 HB ILE A 31 0.128 -0.009 -9.318 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.257 -0.168 -7.164 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.737 1.286 -7.992 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.329 -1.760 -7.635 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.074 -2.444 -9.228 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.288 -2.444 -7.927 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.738 1.133 -5.776 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.516 1.040 -7.036 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.012 -0.437 -6.195 1.00 0.00 H new ATOM 531 N GLU A 32 3.359 1.389 -9.802 1.00 0.00 N ATOM 532 CA GLU A 32 3.809 2.723 -10.161 1.00 0.00 C ATOM 533 C GLU A 32 4.448 2.728 -11.551 1.00 0.00 C ATOM 534 O GLU A 32 4.027 3.481 -12.433 1.00 0.00 O ATOM 535 CB GLU A 32 4.791 3.202 -9.087 1.00 0.00 C ATOM 536 CG GLU A 32 5.393 4.573 -9.286 1.00 0.00 C ATOM 537 CD GLU A 32 6.285 4.948 -8.127 1.00 0.00 C ATOM 538 OE1 GLU A 32 5.783 5.469 -7.116 1.00 0.00 O ATOM 539 OE2 GLU A 32 7.516 4.686 -8.187 1.00 0.00 O ATOM 0 H GLU A 32 3.823 1.018 -8.973 1.00 0.00 H new ATOM 0 HA GLU A 32 2.960 3.405 -10.206 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.277 3.192 -8.126 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.604 2.479 -9.021 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.968 4.590 -10.212 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.598 5.311 -9.391 1.00 0.00 H new ATOM 546 N LEU A 33 5.412 1.839 -11.759 1.00 0.00 N ATOM 547 CA LEU A 33 6.134 1.758 -13.026 1.00 0.00 C ATOM 548 C LEU A 33 5.211 1.383 -14.192 1.00 0.00 C ATOM 549 O LEU A 33 5.433 1.803 -15.338 1.00 0.00 O ATOM 550 CB LEU A 33 7.375 0.822 -12.908 1.00 0.00 C ATOM 551 CG LEU A 33 7.148 -0.677 -12.561 1.00 0.00 C ATOM 552 CD1 LEU A 33 6.680 -1.499 -13.758 1.00 0.00 C ATOM 553 CD2 LEU A 33 8.398 -1.288 -11.956 1.00 0.00 C ATOM 0 H LEU A 33 5.714 1.159 -11.062 1.00 0.00 H new ATOM 0 HA LEU A 33 6.513 2.754 -13.257 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.913 0.864 -13.855 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.034 1.241 -12.148 1.00 0.00 H new ATOM 0 HG LEU A 33 6.345 -0.704 -11.824 1.00 0.00 H new ATOM 0 HD11 LEU A 33 6.539 -2.536 -13.454 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.737 -1.098 -14.129 1.00 0.00 H new ATOM 0 HD13 LEU A 33 7.430 -1.451 -14.548 1.00 0.00 H new ATOM 0 HD21 LEU A 33 8.214 -2.337 -11.722 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.220 -1.214 -12.668 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.659 -0.753 -11.043 1.00 0.00 H new ATOM 565 N ASP A 34 4.175 0.607 -13.897 1.00 0.00 N ATOM 566 CA ASP A 34 3.204 0.210 -14.916 1.00 0.00 C ATOM 567 C ASP A 34 2.285 1.367 -15.242 1.00 0.00 C ATOM 568 O ASP A 34 2.066 1.692 -16.407 1.00 0.00 O ATOM 569 CB ASP A 34 2.370 -0.986 -14.461 1.00 0.00 C ATOM 570 CG ASP A 34 1.337 -1.392 -15.499 1.00 0.00 C ATOM 571 OD1 ASP A 34 1.670 -2.200 -16.393 1.00 0.00 O ATOM 572 OD2 ASP A 34 0.180 -0.917 -15.430 1.00 0.00 O ATOM 0 H ASP A 34 3.984 0.240 -12.965 1.00 0.00 H new ATOM 0 HA ASP A 34 3.763 -0.079 -15.806 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.029 -1.830 -14.257 1.00 0.00 H new ATOM 0 HB3 ASP A 34 1.866 -0.741 -13.526 1.00 0.00 H new ATOM 577 N LEU A 35 1.791 2.012 -14.199 1.00 0.00 N ATOM 578 CA LEU A 35 0.869 3.129 -14.319 1.00 0.00 C ATOM 579 C LEU A 35 1.506 4.320 -15.040 1.00 0.00 C ATOM 580 O LEU A 35 0.798 5.186 -15.583 1.00 0.00 O ATOM 581 CB LEU A 35 0.348 3.537 -12.949 1.00 0.00 C ATOM 582 CG LEU A 35 -0.673 4.668 -12.928 1.00 0.00 C ATOM 583 CD1 LEU A 35 -1.933 4.294 -13.690 1.00 0.00 C ATOM 584 CD2 LEU A 35 -0.989 5.065 -11.507 1.00 0.00 C ATOM 0 H LEU A 35 2.021 1.772 -13.235 1.00 0.00 H new ATOM 0 HA LEU A 35 0.027 2.799 -14.928 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.100 2.662 -12.478 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.198 3.831 -12.333 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.235 5.529 -13.434 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.639 5.123 -13.655 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.680 4.077 -14.728 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.385 3.413 -13.235 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.720 5.874 -11.509 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.398 4.208 -10.972 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.078 5.401 -11.012 1.00 0.00 H new ATOM 596 N ARG A 36 2.827 4.387 -15.012 1.00 0.00 N ATOM 597 CA ARG A 36 3.551 5.389 -15.743 1.00 0.00 C ATOM 598 C ARG A 36 3.364 5.152 -17.215 1.00 0.00 C ATOM 599 O ARG A 36 4.032 4.311 -17.828 1.00 0.00 O ATOM 600 CB ARG A 36 5.040 5.427 -15.385 1.00 0.00 C ATOM 601 CG ARG A 36 5.344 5.915 -13.979 1.00 0.00 C ATOM 602 CD ARG A 36 4.745 7.294 -13.734 1.00 0.00 C ATOM 603 NE ARG A 36 5.166 8.282 -14.750 1.00 0.00 N ATOM 604 CZ ARG A 36 4.631 9.512 -14.902 1.00 0.00 C ATOM 605 NH1 ARG A 36 3.727 9.963 -14.028 1.00 0.00 N ATOM 606 NH2 ARG A 36 5.024 10.291 -15.908 1.00 0.00 N ATOM 0 H ARG A 36 3.417 3.746 -14.481 1.00 0.00 H new ATOM 0 HA ARG A 36 3.148 6.363 -15.465 1.00 0.00 H new ATOM 0 HB2 ARG A 36 5.454 4.426 -15.505 1.00 0.00 H new ATOM 0 HB3 ARG A 36 5.554 6.072 -16.098 1.00 0.00 H new ATOM 0 HG2 ARG A 36 4.946 5.208 -13.252 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.423 5.952 -13.829 1.00 0.00 H new ATOM 0 HD2 ARG A 36 3.658 7.219 -13.733 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.041 7.645 -12.746 1.00 0.00 H new ATOM 0 HE ARG A 36 5.918 8.014 -15.385 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.440 9.378 -13.244 1.00 0.00 H new ATOM 0 HH12 ARG A 36 3.324 10.893 -14.145 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.730 9.958 -16.565 1.00 0.00 H new ATOM 0 HH22 ARG A 36 4.619 11.220 -16.022 1.00 0.00 H new ATOM 620 N GLY A 37 2.460 5.875 -17.761 1.00 0.00 N ATOM 621 CA GLY A 37 2.068 5.715 -19.096 1.00 0.00 C ATOM 622 C GLY A 37 0.658 6.175 -19.233 1.00 0.00 C ATOM 623 O GLY A 37 0.410 7.387 -19.240 1.00 0.00 O ATOM 0 H GLY A 37 1.961 6.616 -17.269 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.720 6.290 -19.754 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.156 4.670 -19.394 1.00 0.00 H new ATOM 627 N SER A 38 -0.279 5.228 -19.181 1.00 0.00 N ATOM 628 CA SER A 38 -1.698 5.517 -19.416 1.00 0.00 C ATOM 629 C SER A 38 -2.556 4.253 -19.566 1.00 0.00 C ATOM 630 O SER A 38 -2.449 3.537 -20.572 1.00 0.00 O ATOM 631 CB SER A 38 -1.891 6.395 -20.680 1.00 0.00 C ATOM 632 OG SER A 38 -1.249 5.821 -21.823 1.00 0.00 O ATOM 0 H SER A 38 -0.081 4.248 -18.977 1.00 0.00 H new ATOM 0 HA SER A 38 -2.033 6.053 -18.528 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.955 6.515 -20.882 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.487 7.391 -20.497 1.00 0.00 H new ATOM 0 HG SER A 38 -1.418 4.856 -21.843 1.00 0.00 H new ATOM 638 N ASP A 39 -3.358 3.979 -18.565 1.00 0.00 N ATOM 639 CA ASP A 39 -4.425 2.973 -18.643 1.00 0.00 C ATOM 640 C ASP A 39 -5.298 3.130 -17.438 1.00 0.00 C ATOM 641 O ASP A 39 -6.339 3.791 -17.517 1.00 0.00 O ATOM 642 CB ASP A 39 -3.967 1.506 -18.796 1.00 0.00 C ATOM 643 CG ASP A 39 -5.162 0.588 -19.056 1.00 0.00 C ATOM 644 OD1 ASP A 39 -5.800 0.113 -18.097 1.00 0.00 O ATOM 645 OD2 ASP A 39 -5.513 0.358 -20.233 1.00 0.00 O ATOM 0 H ASP A 39 -3.299 4.445 -17.659 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.962 3.168 -19.571 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -3.256 1.426 -19.618 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.447 1.187 -17.893 1.00 0.00 H new ATOM 650 N ASN A 40 -4.862 2.606 -16.311 1.00 0.00 N ATOM 651 CA ASN A 40 -5.580 2.772 -15.060 1.00 0.00 C ATOM 652 C ASN A 40 -4.807 2.106 -13.967 1.00 0.00 C ATOM 653 O ASN A 40 -4.235 1.040 -14.178 1.00 0.00 O ATOM 654 CB ASN A 40 -6.954 2.124 -15.087 1.00 0.00 C ATOM 655 CG ASN A 40 -7.900 2.824 -14.139 1.00 0.00 C ATOM 656 OD1 ASN A 40 -7.906 2.556 -12.944 1.00 0.00 O ATOM 657 ND2 ASN A 40 -8.712 3.714 -14.659 1.00 0.00 N ATOM 0 H ASN A 40 -4.006 2.056 -16.234 1.00 0.00 H new ATOM 0 HA ASN A 40 -5.696 3.844 -14.899 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -7.356 2.158 -16.099 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -6.870 1.073 -14.812 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -9.376 4.208 -14.063 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -8.679 3.912 -15.659 1.00 0.00 H new ATOM 664 N ILE A 41 -4.822 2.692 -12.794 1.00 0.00 N ATOM 665 CA ILE A 41 -4.120 2.127 -11.664 1.00 0.00 C ATOM 666 C ILE A 41 -4.747 0.786 -11.259 1.00 0.00 C ATOM 667 O ILE A 41 -4.063 -0.099 -10.787 1.00 0.00 O ATOM 668 CB ILE A 41 -4.055 3.115 -10.467 1.00 0.00 C ATOM 669 CG1 ILE A 41 -3.260 2.506 -9.297 1.00 0.00 C ATOM 670 CG2 ILE A 41 -5.454 3.539 -10.034 1.00 0.00 C ATOM 671 CD1 ILE A 41 -3.054 3.438 -8.131 1.00 0.00 C ATOM 0 H ILE A 41 -5.314 3.563 -12.596 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.090 1.942 -11.969 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.527 4.012 -10.792 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.780 1.614 -8.946 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.286 2.183 -9.665 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.381 4.231 -9.195 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.959 4.030 -10.866 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.023 2.660 -9.732 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.486 2.928 -7.353 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.505 4.320 -8.462 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.022 3.742 -7.733 1.00 0.00 H new ATOM 683 N LYS A 42 -6.057 0.649 -11.501 1.00 0.00 N ATOM 684 CA LYS A 42 -6.786 -0.605 -11.279 1.00 0.00 C ATOM 685 C LYS A 42 -6.131 -1.718 -12.033 1.00 0.00 C ATOM 686 O LYS A 42 -5.841 -2.784 -11.490 1.00 0.00 O ATOM 687 CB LYS A 42 -8.184 -0.466 -11.824 1.00 0.00 C ATOM 688 CG LYS A 42 -9.076 0.440 -11.042 1.00 0.00 C ATOM 689 CD LYS A 42 -10.392 0.695 -11.779 1.00 0.00 C ATOM 690 CE LYS A 42 -11.050 -0.597 -12.240 1.00 0.00 C ATOM 691 NZ LYS A 42 -12.302 -0.348 -12.975 1.00 0.00 N ATOM 0 H LYS A 42 -6.641 1.406 -11.857 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.793 -0.818 -10.210 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.124 -0.098 -12.848 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.642 -1.454 -11.867 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -9.282 -0.002 -10.067 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.568 1.387 -10.862 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -11.075 1.235 -11.124 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.206 1.334 -12.642 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.359 -1.148 -12.878 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.257 -1.227 -11.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -12.717 -1.255 -13.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -12.972 0.155 -12.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.102 0.232 -13.815 1.00 0.00 H new ATOM 705 N THR A 43 -5.905 -1.441 -13.280 1.00 0.00 N ATOM 706 CA THR A 43 -5.269 -2.351 -14.187 1.00 0.00 C ATOM 707 C THR A 43 -3.877 -2.718 -13.679 1.00 0.00 C ATOM 708 O THR A 43 -3.519 -3.911 -13.624 1.00 0.00 O ATOM 709 CB THR A 43 -5.159 -1.711 -15.563 1.00 0.00 C ATOM 710 OG1 THR A 43 -6.417 -1.093 -15.869 1.00 0.00 O ATOM 711 CG2 THR A 43 -4.883 -2.765 -16.612 1.00 0.00 C ATOM 0 H THR A 43 -6.164 -0.552 -13.708 1.00 0.00 H new ATOM 0 HA THR A 43 -5.870 -3.258 -14.255 1.00 0.00 H new ATOM 0 HB THR A 43 -4.347 -0.984 -15.560 1.00 0.00 H new ATOM 0 HG1 THR A 43 -6.300 -0.462 -16.610 1.00 0.00 H new ATOM 0 HG21 THR A 43 -4.807 -2.292 -17.591 1.00 0.00 H new ATOM 0 HG22 THR A 43 -3.947 -3.273 -16.380 1.00 0.00 H new ATOM 0 HG23 THR A 43 -5.696 -3.491 -16.622 1.00 0.00 H new ATOM 719 N SER A 44 -3.120 -1.699 -13.278 1.00 0.00 N ATOM 720 CA SER A 44 -1.795 -1.880 -12.722 1.00 0.00 C ATOM 721 C SER A 44 -1.837 -2.783 -11.467 1.00 0.00 C ATOM 722 O SER A 44 -0.974 -3.656 -11.288 1.00 0.00 O ATOM 723 CB SER A 44 -1.192 -0.519 -12.412 1.00 0.00 C ATOM 724 OG SER A 44 -1.210 0.293 -13.582 1.00 0.00 O ATOM 0 H SER A 44 -3.416 -0.724 -13.333 1.00 0.00 H new ATOM 0 HA SER A 44 -1.164 -2.385 -13.453 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.754 -0.035 -11.613 1.00 0.00 H new ATOM 0 HB3 SER A 44 -0.169 -0.637 -12.055 1.00 0.00 H new ATOM 0 HG SER A 44 -0.427 0.088 -14.135 1.00 0.00 H new ATOM 730 N ILE A 45 -2.875 -2.595 -10.635 1.00 0.00 N ATOM 731 CA ILE A 45 -3.099 -3.408 -9.438 1.00 0.00 C ATOM 732 C ILE A 45 -3.224 -4.885 -9.829 1.00 0.00 C ATOM 733 O ILE A 45 -2.633 -5.757 -9.195 1.00 0.00 O ATOM 734 CB ILE A 45 -4.414 -2.964 -8.678 1.00 0.00 C ATOM 735 CG1 ILE A 45 -4.315 -1.528 -8.123 1.00 0.00 C ATOM 736 CG2 ILE A 45 -4.806 -3.938 -7.570 1.00 0.00 C ATOM 737 CD1 ILE A 45 -3.215 -1.309 -7.108 1.00 0.00 C ATOM 0 H ILE A 45 -3.581 -1.873 -10.778 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.247 -3.265 -8.774 1.00 0.00 H new ATOM 0 HB ILE A 45 -5.205 -2.979 -9.428 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.161 -0.842 -8.956 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -5.269 -1.265 -7.665 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -5.714 -3.586 -7.081 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -4.983 -4.924 -7.999 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -4.001 -4.000 -6.838 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.226 -0.270 -6.778 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -3.375 -1.964 -6.251 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -2.250 -1.535 -7.563 1.00 0.00 H new ATOM 749 N ILE A 46 -3.951 -5.138 -10.909 1.00 0.00 N ATOM 750 CA ILE A 46 -4.242 -6.495 -11.361 1.00 0.00 C ATOM 751 C ILE A 46 -2.972 -7.298 -11.671 1.00 0.00 C ATOM 752 O ILE A 46 -2.838 -8.427 -11.194 1.00 0.00 O ATOM 753 CB ILE A 46 -5.195 -6.521 -12.593 1.00 0.00 C ATOM 754 CG1 ILE A 46 -6.496 -5.773 -12.284 1.00 0.00 C ATOM 755 CG2 ILE A 46 -5.507 -7.968 -12.999 1.00 0.00 C ATOM 756 CD1 ILE A 46 -7.451 -5.678 -13.460 1.00 0.00 C ATOM 0 H ILE A 46 -4.356 -4.410 -11.497 1.00 0.00 H new ATOM 0 HA ILE A 46 -4.751 -6.972 -10.524 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.693 -6.022 -13.422 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.002 -6.273 -11.458 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -6.252 -4.766 -11.946 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.174 -7.968 -13.861 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.581 -8.481 -13.257 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -5.988 -8.483 -12.168 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -8.346 -5.134 -13.159 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -6.966 -5.151 -14.281 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -7.728 -6.681 -13.786 1.00 0.00 H new ATOM 768 N TYR A 47 -2.028 -6.708 -12.425 1.00 0.00 N ATOM 769 CA TYR A 47 -0.811 -7.448 -12.823 1.00 0.00 C ATOM 770 C TYR A 47 -0.035 -7.846 -11.585 1.00 0.00 C ATOM 771 O TYR A 47 0.306 -9.014 -11.382 1.00 0.00 O ATOM 772 CB TYR A 47 0.149 -6.608 -13.682 1.00 0.00 C ATOM 773 CG TYR A 47 -0.432 -5.889 -14.866 1.00 0.00 C ATOM 774 CD1 TYR A 47 -0.717 -6.536 -16.062 1.00 0.00 C ATOM 775 CD2 TYR A 47 -0.661 -4.544 -14.786 1.00 0.00 C ATOM 776 CE1 TYR A 47 -1.229 -5.827 -17.142 1.00 0.00 C ATOM 777 CE2 TYR A 47 -1.161 -3.833 -15.842 1.00 0.00 C ATOM 778 CZ TYR A 47 -1.444 -4.467 -17.014 1.00 0.00 C ATOM 779 OH TYR A 47 -1.931 -3.734 -18.069 1.00 0.00 O ATOM 0 H TYR A 47 -2.077 -5.748 -12.765 1.00 0.00 H new ATOM 0 HA TYR A 47 -1.154 -8.306 -13.401 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.619 -5.867 -13.035 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.941 -7.265 -14.042 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.539 -7.597 -16.153 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.441 -4.028 -13.863 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -1.456 -6.332 -18.069 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.331 -2.771 -15.747 1.00 0.00 H new ATOM 0 HH TYR A 47 -2.021 -2.796 -17.801 1.00 0.00 H new ATOM 789 N VAL A 48 0.191 -6.861 -10.748 1.00 0.00 N ATOM 790 CA VAL A 48 0.991 -6.996 -9.555 1.00 0.00 C ATOM 791 C VAL A 48 0.381 -7.996 -8.582 1.00 0.00 C ATOM 792 O VAL A 48 1.066 -8.902 -8.095 1.00 0.00 O ATOM 793 CB VAL A 48 1.178 -5.619 -8.893 1.00 0.00 C ATOM 794 CG1 VAL A 48 2.036 -5.711 -7.649 1.00 0.00 C ATOM 795 CG2 VAL A 48 1.799 -4.663 -9.892 1.00 0.00 C ATOM 0 H VAL A 48 -0.185 -5.922 -10.881 1.00 0.00 H new ATOM 0 HA VAL A 48 1.969 -7.385 -9.839 1.00 0.00 H new ATOM 0 HB VAL A 48 0.200 -5.248 -8.587 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.146 -4.720 -7.209 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.562 -6.377 -6.928 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.019 -6.102 -7.913 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.933 -3.687 -9.426 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.767 -5.049 -10.211 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.144 -4.565 -10.758 1.00 0.00 H new ATOM 805 N TYR A 49 -0.904 -7.872 -8.343 1.00 0.00 N ATOM 806 CA TYR A 49 -1.595 -8.773 -7.444 1.00 0.00 C ATOM 807 C TYR A 49 -1.612 -10.195 -7.973 1.00 0.00 C ATOM 808 O TYR A 49 -1.393 -11.120 -7.223 1.00 0.00 O ATOM 809 CB TYR A 49 -3.012 -8.285 -7.115 1.00 0.00 C ATOM 810 CG TYR A 49 -3.085 -7.123 -6.124 1.00 0.00 C ATOM 811 CD1 TYR A 49 -2.067 -6.175 -6.021 1.00 0.00 C ATOM 812 CD2 TYR A 49 -4.177 -6.991 -5.279 1.00 0.00 C ATOM 813 CE1 TYR A 49 -2.144 -5.136 -5.113 1.00 0.00 C ATOM 814 CE2 TYR A 49 -4.263 -5.955 -4.371 1.00 0.00 C ATOM 815 CZ TYR A 49 -3.246 -5.030 -4.293 1.00 0.00 C ATOM 816 OH TYR A 49 -3.331 -3.997 -3.389 1.00 0.00 O ATOM 0 H TYR A 49 -1.496 -7.153 -8.760 1.00 0.00 H new ATOM 0 HA TYR A 49 -1.030 -8.777 -6.512 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -3.500 -7.983 -8.042 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -3.583 -9.122 -6.713 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -1.202 -6.254 -6.663 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -4.977 -7.714 -5.333 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -1.345 -4.412 -5.047 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -5.124 -5.870 -3.725 1.00 0.00 H new ATOM 0 HH TYR A 49 -3.952 -4.241 -2.671 1.00 0.00 H new ATOM 826 N SER A 50 -1.802 -10.356 -9.276 1.00 0.00 N ATOM 827 CA SER A 50 -1.837 -11.688 -9.876 1.00 0.00 C ATOM 828 C SER A 50 -0.446 -12.344 -9.871 1.00 0.00 C ATOM 829 O SER A 50 -0.320 -13.563 -9.827 1.00 0.00 O ATOM 830 CB SER A 50 -2.389 -11.614 -11.296 1.00 0.00 C ATOM 831 OG SER A 50 -3.665 -10.979 -11.305 1.00 0.00 O ATOM 0 H SER A 50 -1.934 -9.589 -9.935 1.00 0.00 H new ATOM 0 HA SER A 50 -2.498 -12.310 -9.273 1.00 0.00 H new ATOM 0 HB2 SER A 50 -1.697 -11.062 -11.933 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.473 -12.618 -11.712 1.00 0.00 H new ATOM 0 HG SER A 50 -3.547 -10.007 -11.266 1.00 0.00 H new ATOM 837 N SER A 51 0.582 -11.533 -9.896 1.00 0.00 N ATOM 838 CA SER A 51 1.933 -12.030 -9.907 1.00 0.00 C ATOM 839 C SER A 51 2.391 -12.377 -8.474 1.00 0.00 C ATOM 840 O SER A 51 3.154 -13.331 -8.254 1.00 0.00 O ATOM 841 CB SER A 51 2.856 -10.971 -10.539 1.00 0.00 C ATOM 842 OG SER A 51 4.171 -11.459 -10.734 1.00 0.00 O ATOM 0 H SER A 51 0.506 -10.516 -9.909 1.00 0.00 H new ATOM 0 HA SER A 51 1.981 -12.943 -10.501 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.442 -10.654 -11.496 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.888 -10.090 -9.898 1.00 0.00 H new ATOM 0 HG SER A 51 4.724 -10.758 -11.138 1.00 0.00 H new ATOM 848 N HIS A 52 1.884 -11.633 -7.508 1.00 0.00 N ATOM 849 CA HIS A 52 2.302 -11.765 -6.118 1.00 0.00 C ATOM 850 C HIS A 52 1.141 -12.261 -5.256 1.00 0.00 C ATOM 851 O HIS A 52 1.047 -11.916 -4.066 1.00 0.00 O ATOM 852 CB HIS A 52 2.806 -10.405 -5.589 1.00 0.00 C ATOM 853 CG HIS A 52 3.999 -9.837 -6.325 1.00 0.00 C ATOM 854 ND1 HIS A 52 5.299 -10.117 -5.988 1.00 0.00 N ATOM 855 CD2 HIS A 52 4.068 -8.975 -7.368 1.00 0.00 C ATOM 856 CE1 HIS A 52 6.113 -9.449 -6.788 1.00 0.00 C ATOM 857 NE2 HIS A 52 5.387 -8.753 -7.630 1.00 0.00 N ATOM 0 H HIS A 52 1.171 -10.920 -7.661 1.00 0.00 H new ATOM 0 HA HIS A 52 3.112 -12.493 -6.065 1.00 0.00 H new ATOM 0 HB2 HIS A 52 1.989 -9.686 -5.642 1.00 0.00 H new ATOM 0 HB3 HIS A 52 3.066 -10.515 -4.536 1.00 0.00 H new ATOM 0 HD2 HIS A 52 3.231 -8.543 -7.896 1.00 0.00 H new ATOM 0 HE1 HIS A 52 7.192 -9.473 -6.754 1.00 0.00 H new ATOM 0 HE2 HIS A 52 5.751 -8.144 -8.363 1.00 0.00 H new ATOM 866 N LEU A 53 0.316 -13.137 -5.847 1.00 0.00 N ATOM 867 CA LEU A 53 -0.906 -13.698 -5.222 1.00 0.00 C ATOM 868 C LEU A 53 -0.693 -14.199 -3.812 1.00 0.00 C ATOM 869 O LEU A 53 -1.552 -14.003 -2.958 1.00 0.00 O ATOM 870 CB LEU A 53 -1.481 -14.845 -6.061 1.00 0.00 C ATOM 871 CG LEU A 53 -2.138 -14.471 -7.383 1.00 0.00 C ATOM 872 CD1 LEU A 53 -2.475 -15.723 -8.177 1.00 0.00 C ATOM 873 CD2 LEU A 53 -3.406 -13.655 -7.140 1.00 0.00 C ATOM 0 H LEU A 53 0.476 -13.487 -6.792 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.607 -12.865 -5.179 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.676 -15.549 -6.270 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.217 -15.373 -5.454 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.435 -13.865 -7.955 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.944 -15.441 -9.120 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.562 -16.282 -8.379 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.161 -16.345 -7.602 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.861 -13.397 -8.096 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.109 -14.243 -6.550 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.153 -12.742 -6.600 1.00 0.00 H new ATOM 885 N ASP A 54 0.446 -14.822 -3.570 1.00 0.00 N ATOM 886 CA ASP A 54 0.752 -15.416 -2.259 1.00 0.00 C ATOM 887 C ASP A 54 0.613 -14.425 -1.098 1.00 0.00 C ATOM 888 O ASP A 54 -0.066 -14.714 -0.101 1.00 0.00 O ATOM 889 CB ASP A 54 2.151 -16.044 -2.244 1.00 0.00 C ATOM 890 CG ASP A 54 2.559 -16.516 -0.857 1.00 0.00 C ATOM 891 OD1 ASP A 54 2.238 -17.658 -0.484 1.00 0.00 O ATOM 892 OD2 ASP A 54 3.194 -15.733 -0.108 1.00 0.00 O ATOM 0 H ASP A 54 1.186 -14.936 -4.263 1.00 0.00 H new ATOM 0 HA ASP A 54 0.005 -16.196 -2.108 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.175 -16.888 -2.934 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.877 -15.316 -2.605 1.00 0.00 H new ATOM 897 N GLU A 55 1.227 -13.271 -1.203 1.00 0.00 N ATOM 898 CA GLU A 55 1.133 -12.305 -0.123 1.00 0.00 C ATOM 899 C GLU A 55 -0.252 -11.675 -0.120 1.00 0.00 C ATOM 900 O GLU A 55 -0.858 -11.478 0.946 1.00 0.00 O ATOM 901 CB GLU A 55 2.216 -11.240 -0.220 1.00 0.00 C ATOM 902 CG GLU A 55 2.403 -10.419 1.059 1.00 0.00 C ATOM 903 CD GLU A 55 3.037 -11.192 2.203 1.00 0.00 C ATOM 904 OE1 GLU A 55 2.483 -12.239 2.617 1.00 0.00 O ATOM 905 OE2 GLU A 55 4.110 -10.774 2.703 1.00 0.00 O ATOM 0 H GLU A 55 1.786 -12.977 -2.004 1.00 0.00 H new ATOM 0 HA GLU A 55 1.290 -12.830 0.819 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.161 -11.721 -0.472 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.974 -10.564 -1.040 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.022 -9.551 0.834 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.432 -10.043 1.382 1.00 0.00 H new ATOM 912 N ILE A 56 -0.769 -11.436 -1.332 1.00 0.00 N ATOM 913 CA ILE A 56 -2.071 -10.804 -1.537 1.00 0.00 C ATOM 914 C ILE A 56 -3.174 -11.582 -0.823 1.00 0.00 C ATOM 915 O ILE A 56 -3.924 -11.021 -0.047 1.00 0.00 O ATOM 916 CB ILE A 56 -2.453 -10.698 -3.054 1.00 0.00 C ATOM 917 CG1 ILE A 56 -1.369 -9.979 -3.885 1.00 0.00 C ATOM 918 CG2 ILE A 56 -3.805 -10.010 -3.237 1.00 0.00 C ATOM 919 CD1 ILE A 56 -0.981 -8.608 -3.393 1.00 0.00 C ATOM 0 H ILE A 56 -0.291 -11.678 -2.200 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.985 -9.799 -1.124 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.527 -11.720 -3.427 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.477 -10.605 -3.906 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.722 -9.891 -4.913 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.043 -9.951 -4.299 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.577 -10.583 -2.724 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.761 -9.004 -2.819 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.214 -8.191 -4.046 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.856 -7.958 -3.400 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.592 -8.682 -2.378 1.00 0.00 H new ATOM 931 N ARG A 57 -3.237 -12.878 -1.076 1.00 0.00 N ATOM 932 CA ARG A 57 -4.286 -13.716 -0.513 1.00 0.00 C ATOM 933 C ARG A 57 -4.187 -13.863 1.009 1.00 0.00 C ATOM 934 O ARG A 57 -5.202 -13.886 1.689 1.00 0.00 O ATOM 935 CB ARG A 57 -4.334 -15.107 -1.161 1.00 0.00 C ATOM 936 CG ARG A 57 -3.055 -15.919 -0.998 1.00 0.00 C ATOM 937 CD ARG A 57 -3.356 -17.392 -0.873 1.00 0.00 C ATOM 938 NE ARG A 57 -4.185 -17.636 0.315 1.00 0.00 N ATOM 939 CZ ARG A 57 -3.866 -18.399 1.368 1.00 0.00 C ATOM 940 NH1 ARG A 57 -2.721 -19.076 1.401 1.00 0.00 N ATOM 941 NH2 ARG A 57 -4.697 -18.467 2.397 1.00 0.00 N ATOM 0 H ARG A 57 -2.573 -13.376 -1.669 1.00 0.00 H new ATOM 0 HA ARG A 57 -5.214 -13.191 -0.740 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -5.164 -15.667 -0.730 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -4.545 -14.993 -2.224 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -2.402 -15.750 -1.854 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -2.516 -15.579 -0.114 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -3.873 -17.743 -1.766 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -2.427 -17.957 -0.800 1.00 0.00 H new ATOM 0 HE ARG A 57 -5.096 -17.178 0.340 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -2.072 -19.018 0.617 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -2.493 -19.653 2.211 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -5.571 -17.941 2.383 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -4.463 -19.045 3.204 1.00 0.00 H new ATOM 955 N LYS A 58 -2.970 -13.939 1.545 1.00 0.00 N ATOM 956 CA LYS A 58 -2.818 -14.172 2.986 1.00 0.00 C ATOM 957 C LYS A 58 -3.211 -12.951 3.783 1.00 0.00 C ATOM 958 O LYS A 58 -3.597 -13.055 4.941 1.00 0.00 O ATOM 959 CB LYS A 58 -1.396 -14.590 3.372 1.00 0.00 C ATOM 960 CG LYS A 58 -0.879 -15.835 2.666 1.00 0.00 C ATOM 961 CD LYS A 58 0.429 -16.346 3.285 1.00 0.00 C ATOM 962 CE LYS A 58 1.506 -15.268 3.367 1.00 0.00 C ATOM 963 NZ LYS A 58 1.904 -14.743 2.044 1.00 0.00 N ATOM 0 H LYS A 58 -2.097 -13.846 1.025 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.489 -14.997 3.226 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.719 -13.762 3.159 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.363 -14.760 4.448 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -1.634 -16.620 2.715 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -0.718 -15.613 1.611 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.227 -16.728 4.286 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.803 -17.182 2.694 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.142 -14.446 3.983 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.384 -15.677 3.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 2.421 -13.849 2.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 2.517 -15.434 1.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 1.055 -14.576 1.467 1.00 0.00 H new ATOM 977 N ASN A 59 -3.124 -11.806 3.162 1.00 0.00 N ATOM 978 CA ASN A 59 -3.444 -10.555 3.812 1.00 0.00 C ATOM 979 C ASN A 59 -4.381 -9.784 2.934 1.00 0.00 C ATOM 980 O ASN A 59 -4.184 -8.589 2.659 1.00 0.00 O ATOM 981 CB ASN A 59 -2.175 -9.743 4.097 1.00 0.00 C ATOM 982 CG ASN A 59 -1.218 -10.452 5.033 1.00 0.00 C ATOM 983 OD1 ASN A 59 -0.267 -11.175 4.477 1.00 0.00 O flip ATOM 984 ND2 ASN A 59 -1.323 -10.331 6.255 1.00 0.00 N flip ATOM 0 H ASN A 59 -2.829 -11.709 2.190 1.00 0.00 H new ATOM 0 HA ASN A 59 -3.922 -10.757 4.771 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.666 -9.532 3.156 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -2.454 -8.783 4.530 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -2.073 -9.762 6.649 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.660 -10.799 6.873 1.00 0.00 H new ATOM 991 N LYS A 60 -5.419 -10.471 2.504 1.00 0.00 N ATOM 992 CA LYS A 60 -6.416 -9.917 1.605 1.00 0.00 C ATOM 993 C LYS A 60 -7.080 -8.665 2.161 1.00 0.00 C ATOM 994 O LYS A 60 -7.453 -7.795 1.401 1.00 0.00 O ATOM 995 CB LYS A 60 -7.475 -10.953 1.143 1.00 0.00 C ATOM 996 CG LYS A 60 -8.412 -11.523 2.218 1.00 0.00 C ATOM 997 CD LYS A 60 -7.712 -12.462 3.189 1.00 0.00 C ATOM 998 CE LYS A 60 -8.691 -13.033 4.190 1.00 0.00 C ATOM 999 NZ LYS A 60 -8.042 -13.951 5.140 1.00 0.00 N ATOM 0 H LYS A 60 -5.598 -11.439 2.770 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.857 -9.624 0.717 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -8.089 -10.488 0.371 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.951 -11.786 0.675 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -8.857 -10.699 2.776 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -9.229 -12.057 1.732 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -7.236 -13.273 2.637 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -6.921 -11.926 3.713 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.163 -12.218 4.739 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.483 -13.562 3.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -8.750 -14.318 5.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -7.613 -14.743 4.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -7.303 -13.441 5.665 1.00 0.00 H new ATOM 1013 N GLU A 61 -7.212 -8.566 3.478 1.00 0.00 N ATOM 1014 CA GLU A 61 -7.787 -7.393 4.094 1.00 0.00 C ATOM 1015 C GLU A 61 -6.880 -6.203 3.826 1.00 0.00 C ATOM 1016 O GLU A 61 -7.318 -5.163 3.329 1.00 0.00 O ATOM 1017 CB GLU A 61 -7.937 -7.571 5.608 1.00 0.00 C ATOM 1018 CG GLU A 61 -8.531 -8.895 6.056 1.00 0.00 C ATOM 1019 CD GLU A 61 -7.474 -9.944 6.326 1.00 0.00 C ATOM 1020 OE1 GLU A 61 -6.798 -10.390 5.391 1.00 0.00 O ATOM 1021 OE2 GLU A 61 -7.320 -10.359 7.493 1.00 0.00 O ATOM 0 H GLU A 61 -6.925 -9.291 4.136 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.777 -7.232 3.668 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -6.955 -7.459 6.068 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -8.562 -6.764 5.991 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -9.121 -8.738 6.959 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.214 -9.261 5.289 1.00 0.00 H new ATOM 1028 N PHE A 62 -5.597 -6.398 4.112 1.00 0.00 N ATOM 1029 CA PHE A 62 -4.576 -5.382 3.932 1.00 0.00 C ATOM 1030 C PHE A 62 -4.502 -4.953 2.473 1.00 0.00 C ATOM 1031 O PHE A 62 -4.574 -3.764 2.159 1.00 0.00 O ATOM 1032 CB PHE A 62 -3.206 -5.918 4.413 1.00 0.00 C ATOM 1033 CG PHE A 62 -2.041 -5.002 4.125 1.00 0.00 C ATOM 1034 CD1 PHE A 62 -1.789 -3.900 4.915 1.00 0.00 C ATOM 1035 CD2 PHE A 62 -1.202 -5.250 3.047 1.00 0.00 C ATOM 1036 CE1 PHE A 62 -0.734 -3.065 4.637 1.00 0.00 C ATOM 1037 CE2 PHE A 62 -0.144 -4.419 2.769 1.00 0.00 C ATOM 1038 CZ PHE A 62 0.090 -3.326 3.560 1.00 0.00 C ATOM 0 H PHE A 62 -5.236 -7.278 4.480 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.839 -4.509 4.530 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.256 -6.095 5.487 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -3.020 -6.882 3.939 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -2.427 -3.691 5.761 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -1.384 -6.109 2.418 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.549 -2.204 5.261 1.00 0.00 H new ATOM 0 HE2 PHE A 62 0.502 -4.627 1.929 1.00 0.00 H new ATOM 0 HZ PHE A 62 0.918 -2.668 3.342 1.00 0.00 H new ATOM 1048 N TYR A 63 -4.400 -5.927 1.591 1.00 0.00 N ATOM 1049 CA TYR A 63 -4.274 -5.655 0.181 1.00 0.00 C ATOM 1050 C TYR A 63 -5.519 -5.097 -0.454 1.00 0.00 C ATOM 1051 O TYR A 63 -5.427 -4.395 -1.452 1.00 0.00 O ATOM 1052 CB TYR A 63 -3.699 -6.832 -0.591 1.00 0.00 C ATOM 1053 CG TYR A 63 -2.230 -7.011 -0.316 1.00 0.00 C ATOM 1054 CD1 TYR A 63 -1.295 -6.196 -0.940 1.00 0.00 C ATOM 1055 CD2 TYR A 63 -1.776 -7.965 0.569 1.00 0.00 C ATOM 1056 CE1 TYR A 63 0.053 -6.329 -0.691 1.00 0.00 C ATOM 1057 CE2 TYR A 63 -0.432 -8.108 0.824 1.00 0.00 C ATOM 1058 CZ TYR A 63 0.480 -7.285 0.189 1.00 0.00 C ATOM 1059 OH TYR A 63 1.818 -7.423 0.435 1.00 0.00 O ATOM 0 H TYR A 63 -4.402 -6.918 1.832 1.00 0.00 H new ATOM 0 HA TYR A 63 -3.543 -4.849 0.115 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -4.234 -7.742 -0.320 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -3.854 -6.678 -1.659 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -1.632 -5.442 -1.636 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -2.485 -8.609 1.069 1.00 0.00 H new ATOM 0 HE1 TYR A 63 0.765 -5.685 -1.185 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -0.090 -8.861 1.518 1.00 0.00 H new ATOM 0 HH TYR A 63 1.974 -7.432 1.403 1.00 0.00 H new ATOM 1069 N ASP A 64 -6.669 -5.381 0.113 1.00 0.00 N ATOM 1070 CA ASP A 64 -7.913 -4.812 -0.394 1.00 0.00 C ATOM 1071 C ASP A 64 -8.019 -3.358 0.026 1.00 0.00 C ATOM 1072 O ASP A 64 -8.343 -2.485 -0.787 1.00 0.00 O ATOM 1073 CB ASP A 64 -9.129 -5.597 0.093 1.00 0.00 C ATOM 1074 CG ASP A 64 -10.433 -5.039 -0.421 1.00 0.00 C ATOM 1075 OD1 ASP A 64 -10.715 -5.164 -1.625 1.00 0.00 O ATOM 1076 OD2 ASP A 64 -11.209 -4.480 0.374 1.00 0.00 O ATOM 0 H ASP A 64 -6.777 -5.996 0.919 1.00 0.00 H new ATOM 0 HA ASP A 64 -7.897 -4.875 -1.482 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -9.035 -6.636 -0.223 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -9.143 -5.595 1.183 1.00 0.00 H new ATOM 1081 N MET A 65 -7.702 -3.099 1.293 1.00 0.00 N ATOM 1082 CA MET A 65 -7.718 -1.746 1.829 1.00 0.00 C ATOM 1083 C MET A 65 -6.740 -0.856 1.102 1.00 0.00 C ATOM 1084 O MET A 65 -7.124 0.204 0.610 1.00 0.00 O ATOM 1085 CB MET A 65 -7.458 -1.716 3.342 1.00 0.00 C ATOM 1086 CG MET A 65 -8.586 -2.319 4.156 1.00 0.00 C ATOM 1087 SD MET A 65 -8.322 -2.245 5.951 1.00 0.00 S ATOM 1088 CE MET A 65 -6.939 -3.355 6.143 1.00 0.00 C ATOM 0 H MET A 65 -7.430 -3.814 1.968 1.00 0.00 H new ATOM 0 HA MET A 65 -8.723 -1.357 1.665 1.00 0.00 H new ATOM 0 HB2 MET A 65 -6.536 -2.256 3.556 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.303 -0.684 3.657 1.00 0.00 H new ATOM 0 HG2 MET A 65 -9.513 -1.800 3.914 1.00 0.00 H new ATOM 0 HG3 MET A 65 -8.717 -3.360 3.861 1.00 0.00 H new ATOM 0 HE1 MET A 65 -6.398 -3.107 7.056 1.00 0.00 H new ATOM 0 HE2 MET A 65 -7.302 -4.381 6.203 1.00 0.00 H new ATOM 0 HE3 MET A 65 -6.271 -3.256 5.287 1.00 0.00 H new ATOM 1098 N ILE A 66 -5.485 -1.302 0.971 1.00 0.00 N ATOM 1099 CA ILE A 66 -4.501 -0.478 0.290 1.00 0.00 C ATOM 1100 C ILE A 66 -4.850 -0.276 -1.170 1.00 0.00 C ATOM 1101 O ILE A 66 -4.700 0.804 -1.661 1.00 0.00 O ATOM 1102 CB ILE A 66 -3.017 -0.937 0.412 1.00 0.00 C ATOM 1103 CG1 ILE A 66 -2.787 -2.318 -0.184 1.00 0.00 C ATOM 1104 CG2 ILE A 66 -2.562 -0.906 1.856 1.00 0.00 C ATOM 1105 CD1 ILE A 66 -1.325 -2.658 -0.342 1.00 0.00 C ATOM 0 H ILE A 66 -5.142 -2.198 1.317 1.00 0.00 H new ATOM 0 HA ILE A 66 -4.559 0.467 0.831 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.420 -0.231 -0.165 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.261 -3.065 0.452 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.274 -2.373 -1.158 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -1.523 -1.230 1.917 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.649 0.109 2.243 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.186 -1.575 2.449 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -1.228 -3.655 -0.772 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.852 -1.931 -1.002 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.838 -2.634 0.633 1.00 0.00 H new ATOM 1117 N ALA A 67 -5.367 -1.314 -1.841 1.00 0.00 N ATOM 1118 CA ALA A 67 -5.728 -1.210 -3.263 1.00 0.00 C ATOM 1119 C ALA A 67 -6.758 -0.130 -3.472 1.00 0.00 C ATOM 1120 O ALA A 67 -6.676 0.634 -4.430 1.00 0.00 O ATOM 1121 CB ALA A 67 -6.252 -2.523 -3.801 1.00 0.00 C ATOM 0 H ALA A 67 -5.544 -2.229 -1.427 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.821 -0.953 -3.810 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.509 -2.408 -4.854 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.486 -3.291 -3.696 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.140 -2.817 -3.241 1.00 0.00 H new ATOM 1127 N GLU A 68 -7.709 -0.072 -2.566 1.00 0.00 N ATOM 1128 CA GLU A 68 -8.745 0.933 -2.583 1.00 0.00 C ATOM 1129 C GLU A 68 -8.099 2.315 -2.426 1.00 0.00 C ATOM 1130 O GLU A 68 -8.247 3.187 -3.287 1.00 0.00 O ATOM 1131 CB GLU A 68 -9.711 0.658 -1.429 1.00 0.00 C ATOM 1132 CG GLU A 68 -10.914 1.581 -1.362 1.00 0.00 C ATOM 1133 CD GLU A 68 -11.858 1.364 -2.509 1.00 0.00 C ATOM 1134 OE1 GLU A 68 -11.683 1.978 -3.573 1.00 0.00 O ATOM 1135 OE2 GLU A 68 -12.800 0.560 -2.369 1.00 0.00 O ATOM 0 H GLU A 68 -7.784 -0.729 -1.789 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.295 0.906 -3.524 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -10.065 -0.370 -1.509 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -9.162 0.733 -0.490 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -11.443 1.419 -0.423 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.576 2.617 -1.363 1.00 0.00 H new ATOM 1142 N ILE A 69 -7.329 2.461 -1.354 1.00 0.00 N ATOM 1143 CA ILE A 69 -6.636 3.706 -1.014 1.00 0.00 C ATOM 1144 C ILE A 69 -5.693 4.162 -2.136 1.00 0.00 C ATOM 1145 O ILE A 69 -5.652 5.338 -2.460 1.00 0.00 O ATOM 1146 CB ILE A 69 -5.851 3.553 0.315 1.00 0.00 C ATOM 1147 CG1 ILE A 69 -6.821 3.221 1.449 1.00 0.00 C ATOM 1148 CG2 ILE A 69 -5.053 4.824 0.646 1.00 0.00 C ATOM 1149 CD1 ILE A 69 -6.142 2.890 2.745 1.00 0.00 C ATOM 0 H ILE A 69 -7.164 1.709 -0.685 1.00 0.00 H new ATOM 0 HA ILE A 69 -7.399 4.474 -0.889 1.00 0.00 H new ATOM 0 HB ILE A 69 -5.136 2.738 0.200 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -7.488 4.069 1.605 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -7.442 2.377 1.149 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.515 4.682 1.583 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -4.341 5.025 -0.154 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.736 5.667 0.744 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -6.893 2.666 3.502 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -5.496 2.023 2.606 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.543 3.741 3.069 1.00 0.00 H new ATOM 1161 N LEU A 70 -4.959 3.226 -2.724 1.00 0.00 N ATOM 1162 CA LEU A 70 -4.043 3.514 -3.830 1.00 0.00 C ATOM 1163 C LEU A 70 -4.758 4.223 -4.968 1.00 0.00 C ATOM 1164 O LEU A 70 -4.304 5.247 -5.437 1.00 0.00 O ATOM 1165 CB LEU A 70 -3.370 2.226 -4.340 1.00 0.00 C ATOM 1166 CG LEU A 70 -2.423 1.520 -3.358 1.00 0.00 C ATOM 1167 CD1 LEU A 70 -1.973 0.184 -3.907 1.00 0.00 C ATOM 1168 CD2 LEU A 70 -1.219 2.389 -3.056 1.00 0.00 C ATOM 0 H LEU A 70 -4.979 2.244 -2.450 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.269 4.179 -3.448 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.151 1.522 -4.628 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.809 2.467 -5.243 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.971 1.347 -2.432 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.303 -0.296 -3.193 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.842 -0.452 -4.074 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.449 0.336 -4.850 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.561 1.870 -2.359 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.678 2.595 -3.980 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.550 3.328 -2.612 1.00 0.00 H new ATOM 1180 N GLN A 71 -5.900 3.704 -5.359 1.00 0.00 N ATOM 1181 CA GLN A 71 -6.685 4.280 -6.454 1.00 0.00 C ATOM 1182 C GLN A 71 -7.272 5.618 -6.013 1.00 0.00 C ATOM 1183 O GLN A 71 -7.142 6.645 -6.697 1.00 0.00 O ATOM 1184 CB GLN A 71 -7.825 3.328 -6.812 1.00 0.00 C ATOM 1185 CG GLN A 71 -7.375 1.915 -7.132 1.00 0.00 C ATOM 1186 CD GLN A 71 -8.527 0.951 -7.319 1.00 0.00 C ATOM 1187 OE1 GLN A 71 -9.609 1.324 -7.777 1.00 0.00 O ATOM 1188 NE2 GLN A 71 -8.339 -0.270 -6.899 1.00 0.00 N ATOM 0 H GLN A 71 -6.318 2.875 -4.937 1.00 0.00 H new ATOM 0 HA GLN A 71 -6.042 4.431 -7.321 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -8.530 3.294 -5.981 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -8.363 3.730 -7.671 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -6.771 1.930 -8.039 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -6.734 1.554 -6.328 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -7.431 -0.547 -6.525 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -9.100 -0.948 -6.944 1.00 0.00 H new ATOM 1197 N ARG A 72 -7.857 5.583 -4.838 1.00 0.00 N ATOM 1198 CA ARG A 72 -8.562 6.692 -4.223 1.00 0.00 C ATOM 1199 C ARG A 72 -7.627 7.897 -4.038 1.00 0.00 C ATOM 1200 O ARG A 72 -7.991 9.044 -4.321 1.00 0.00 O ATOM 1201 CB ARG A 72 -9.077 6.202 -2.866 1.00 0.00 C ATOM 1202 CG ARG A 72 -10.231 6.968 -2.268 1.00 0.00 C ATOM 1203 CD ARG A 72 -10.691 6.288 -0.984 1.00 0.00 C ATOM 1204 NE ARG A 72 -12.079 6.622 -0.647 1.00 0.00 N ATOM 1205 CZ ARG A 72 -12.768 6.092 0.373 1.00 0.00 C ATOM 1206 NH1 ARG A 72 -12.130 5.510 1.390 1.00 0.00 N ATOM 1207 NH2 ARG A 72 -14.088 6.245 0.427 1.00 0.00 N ATOM 0 H ARG A 72 -7.856 4.745 -4.256 1.00 0.00 H new ATOM 0 HA ARG A 72 -9.387 7.018 -4.856 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -9.377 5.159 -2.971 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -8.249 6.225 -2.158 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -9.929 7.994 -2.059 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -11.055 7.017 -2.980 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -10.595 5.208 -1.093 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -10.038 6.585 -0.163 1.00 0.00 H new ATOM 0 HE ARG A 72 -12.555 7.308 -1.232 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -11.111 5.466 1.395 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -12.661 5.109 2.163 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -14.572 6.764 -0.306 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -14.617 5.843 1.201 1.00 0.00 H new ATOM 1221 N TYR A 73 -6.426 7.635 -3.593 1.00 0.00 N ATOM 1222 CA TYR A 73 -5.478 8.674 -3.323 1.00 0.00 C ATOM 1223 C TYR A 73 -4.540 8.995 -4.456 1.00 0.00 C ATOM 1224 O TYR A 73 -3.912 10.048 -4.442 1.00 0.00 O ATOM 1225 CB TYR A 73 -4.763 8.475 -1.997 1.00 0.00 C ATOM 1226 CG TYR A 73 -5.609 8.918 -0.847 1.00 0.00 C ATOM 1227 CD1 TYR A 73 -6.619 8.118 -0.340 1.00 0.00 C ATOM 1228 CD2 TYR A 73 -5.426 10.168 -0.301 1.00 0.00 C ATOM 1229 CE1 TYR A 73 -7.417 8.560 0.687 1.00 0.00 C ATOM 1230 CE2 TYR A 73 -6.219 10.617 0.714 1.00 0.00 C ATOM 1231 CZ TYR A 73 -7.209 9.819 1.210 1.00 0.00 C ATOM 1232 OH TYR A 73 -8.014 10.297 2.212 1.00 0.00 O ATOM 0 H TYR A 73 -6.081 6.693 -3.409 1.00 0.00 H new ATOM 0 HA TYR A 73 -6.083 9.576 -3.227 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.505 7.423 -1.876 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -3.828 9.035 -1.999 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -6.781 7.135 -0.757 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.641 10.804 -0.683 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -8.199 7.928 1.081 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -6.064 11.604 1.125 1.00 0.00 H new ATOM 0 HH TYR A 73 -7.470 10.496 3.002 1.00 0.00 H new ATOM 1242 N TYR A 74 -4.436 8.136 -5.452 1.00 0.00 N ATOM 1243 CA TYR A 74 -3.640 8.473 -6.610 1.00 0.00 C ATOM 1244 C TYR A 74 -4.322 9.615 -7.360 1.00 0.00 C ATOM 1245 O TYR A 74 -3.672 10.456 -7.974 1.00 0.00 O ATOM 1246 CB TYR A 74 -3.374 7.224 -7.481 1.00 0.00 C ATOM 1247 CG TYR A 74 -3.616 7.380 -8.954 1.00 0.00 C ATOM 1248 CD1 TYR A 74 -2.627 7.839 -9.812 1.00 0.00 C ATOM 1249 CD2 TYR A 74 -4.843 7.061 -9.482 1.00 0.00 C ATOM 1250 CE1 TYR A 74 -2.871 7.972 -11.163 1.00 0.00 C ATOM 1251 CE2 TYR A 74 -5.096 7.186 -10.810 1.00 0.00 C ATOM 1252 CZ TYR A 74 -4.109 7.645 -11.661 1.00 0.00 C ATOM 1253 OH TYR A 74 -4.359 7.770 -13.015 1.00 0.00 O ATOM 0 H TYR A 74 -4.883 7.220 -5.482 1.00 0.00 H new ATOM 0 HA TYR A 74 -2.653 8.824 -6.307 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -2.338 6.918 -7.334 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.001 6.411 -7.115 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -1.655 8.095 -9.417 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.623 6.703 -8.827 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -2.095 8.330 -11.824 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -6.069 6.927 -11.201 1.00 0.00 H new ATOM 0 HH TYR A 74 -5.281 7.497 -13.204 1.00 0.00 H new ATOM 1263 N LYS A 75 -5.634 9.653 -7.256 1.00 0.00 N ATOM 1264 CA LYS A 75 -6.402 10.722 -7.835 1.00 0.00 C ATOM 1265 C LYS A 75 -6.334 11.988 -6.990 1.00 0.00 C ATOM 1266 O LYS A 75 -6.436 13.088 -7.517 1.00 0.00 O ATOM 1267 CB LYS A 75 -7.856 10.306 -8.084 1.00 0.00 C ATOM 1268 CG LYS A 75 -8.042 9.322 -9.231 1.00 0.00 C ATOM 1269 CD LYS A 75 -7.577 9.932 -10.553 1.00 0.00 C ATOM 1270 CE LYS A 75 -8.389 11.164 -10.942 1.00 0.00 C ATOM 1271 NZ LYS A 75 -7.820 11.856 -12.112 1.00 0.00 N ATOM 0 H LYS A 75 -6.189 8.948 -6.771 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.952 10.946 -8.802 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.255 9.862 -7.172 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.447 11.199 -8.288 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.479 8.411 -9.029 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.092 9.039 -9.306 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -6.524 10.204 -10.474 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.655 9.184 -11.342 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -9.415 10.867 -11.160 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -8.429 11.853 -10.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -8.403 12.686 -12.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -6.850 12.163 -11.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -7.805 11.208 -12.925 1.00 0.00 H new ATOM 1285 N LYS A 76 -6.142 11.841 -5.689 1.00 0.00 N ATOM 1286 CA LYS A 76 -6.093 13.006 -4.819 1.00 0.00 C ATOM 1287 C LYS A 76 -4.677 13.587 -4.738 1.00 0.00 C ATOM 1288 O LYS A 76 -4.473 14.775 -4.996 1.00 0.00 O ATOM 1289 CB LYS A 76 -6.610 12.676 -3.400 1.00 0.00 C ATOM 1290 CG LYS A 76 -6.604 13.883 -2.441 1.00 0.00 C ATOM 1291 CD LYS A 76 -7.024 13.516 -1.016 1.00 0.00 C ATOM 1292 CE LYS A 76 -8.477 13.068 -0.933 1.00 0.00 C ATOM 1293 NZ LYS A 76 -8.868 12.675 0.445 1.00 0.00 N ATOM 0 H LYS A 76 -6.020 10.944 -5.218 1.00 0.00 H new ATOM 0 HA LYS A 76 -6.750 13.756 -5.259 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -7.626 12.288 -3.474 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -5.996 11.882 -2.975 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -5.605 14.318 -2.419 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.276 14.650 -2.826 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -6.380 12.719 -0.645 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -6.875 14.376 -0.364 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.124 13.876 -1.275 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -8.634 12.226 -1.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -9.903 12.591 0.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -8.433 11.761 0.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -8.542 13.398 1.118 1.00 0.00 H new ATOM 1307 N ILE A 77 -3.700 12.747 -4.439 1.00 0.00 N ATOM 1308 CA ILE A 77 -2.334 13.222 -4.209 1.00 0.00 C ATOM 1309 C ILE A 77 -1.315 12.633 -5.186 1.00 0.00 C ATOM 1310 O ILE A 77 -0.285 13.238 -5.446 1.00 0.00 O ATOM 1311 CB ILE A 77 -1.873 12.973 -2.740 1.00 0.00 C ATOM 1312 CG1 ILE A 77 -1.939 11.478 -2.385 1.00 0.00 C ATOM 1313 CG2 ILE A 77 -2.726 13.786 -1.777 1.00 0.00 C ATOM 1314 CD1 ILE A 77 -1.510 11.152 -0.970 1.00 0.00 C ATOM 0 H ILE A 77 -3.820 11.738 -4.349 1.00 0.00 H new ATOM 0 HA ILE A 77 -2.370 14.296 -4.390 1.00 0.00 H new ATOM 0 HB ILE A 77 -0.835 13.294 -2.650 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.960 11.127 -2.532 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.308 10.924 -3.080 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.395 13.604 -0.755 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.625 14.846 -2.008 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -3.770 13.491 -1.878 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.587 10.077 -0.805 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.478 11.469 -0.821 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -2.156 11.675 -0.264 1.00 0.00 H new ATOM 1326 N GLY A 78 -1.590 11.465 -5.704 1.00 0.00 N ATOM 1327 CA GLY A 78 -0.682 10.855 -6.659 1.00 0.00 C ATOM 1328 C GLY A 78 -0.124 9.566 -6.124 1.00 0.00 C ATOM 1329 O GLY A 78 0.084 9.444 -4.912 1.00 0.00 O ATOM 0 H GLY A 78 -2.423 10.917 -5.489 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.206 10.667 -7.596 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.133 11.543 -6.882 1.00 0.00 H new ATOM 1333 N ILE A 79 0.152 8.619 -7.005 1.00 0.00 N ATOM 1334 CA ILE A 79 0.581 7.285 -6.592 1.00 0.00 C ATOM 1335 C ILE A 79 1.940 7.313 -5.880 1.00 0.00 C ATOM 1336 O ILE A 79 2.122 6.619 -4.884 1.00 0.00 O ATOM 1337 CB ILE A 79 0.569 6.239 -7.775 1.00 0.00 C ATOM 1338 CG1 ILE A 79 0.971 4.833 -7.293 1.00 0.00 C ATOM 1339 CG2 ILE A 79 1.458 6.675 -8.931 1.00 0.00 C ATOM 1340 CD1 ILE A 79 0.056 4.258 -6.231 1.00 0.00 C ATOM 0 H ILE A 79 0.088 8.746 -8.015 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.161 6.943 -5.871 1.00 0.00 H new ATOM 0 HB ILE A 79 -0.457 6.196 -8.139 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.986 4.158 -8.149 1.00 0.00 H new ATOM 0 HG13 ILE A 79 1.987 4.872 -6.900 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.420 5.926 -9.722 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.107 7.631 -9.319 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.485 6.780 -8.581 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.408 3.266 -5.946 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.059 4.909 -5.357 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.958 4.184 -6.625 1.00 0.00 H new ATOM 1352 N GLU A 80 2.845 8.167 -6.356 1.00 0.00 N ATOM 1353 CA GLU A 80 4.193 8.307 -5.780 1.00 0.00 C ATOM 1354 C GLU A 80 4.098 8.630 -4.297 1.00 0.00 C ATOM 1355 O GLU A 80 4.845 8.105 -3.459 1.00 0.00 O ATOM 1356 CB GLU A 80 4.961 9.457 -6.440 1.00 0.00 C ATOM 1357 CG GLU A 80 4.961 9.479 -7.959 1.00 0.00 C ATOM 1358 CD GLU A 80 3.768 10.218 -8.518 1.00 0.00 C ATOM 1359 OE1 GLU A 80 2.684 9.632 -8.654 1.00 0.00 O ATOM 1360 OE2 GLU A 80 3.900 11.416 -8.830 1.00 0.00 O ATOM 0 H GLU A 80 2.671 8.783 -7.150 1.00 0.00 H new ATOM 0 HA GLU A 80 4.712 7.363 -5.947 1.00 0.00 H new ATOM 0 HB2 GLU A 80 4.542 10.398 -6.084 1.00 0.00 H new ATOM 0 HB3 GLU A 80 5.995 9.419 -6.098 1.00 0.00 H new ATOM 0 HG2 GLU A 80 5.877 9.950 -8.314 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.962 8.456 -8.336 1.00 0.00 H new ATOM 1367 N ASN A 81 3.183 9.516 -4.000 1.00 0.00 N ATOM 1368 CA ASN A 81 2.921 9.957 -2.640 1.00 0.00 C ATOM 1369 C ASN A 81 2.344 8.843 -1.804 1.00 0.00 C ATOM 1370 O ASN A 81 2.857 8.547 -0.727 1.00 0.00 O ATOM 1371 CB ASN A 81 1.991 11.186 -2.603 1.00 0.00 C ATOM 1372 CG ASN A 81 2.674 12.469 -3.036 1.00 0.00 C ATOM 1373 OD1 ASN A 81 3.293 13.153 -2.221 1.00 0.00 O ATOM 1374 ND2 ASN A 81 2.527 12.845 -4.282 1.00 0.00 N ATOM 0 H ASN A 81 2.588 9.961 -4.699 1.00 0.00 H new ATOM 0 HA ASN A 81 3.881 10.249 -2.214 1.00 0.00 H new ATOM 0 HB2 ASN A 81 1.133 11.003 -3.250 1.00 0.00 H new ATOM 0 HB3 ASN A 81 1.606 11.311 -1.591 1.00 0.00 H new ATOM 0 HD21 ASN A 81 2.931 13.726 -4.600 1.00 0.00 H new ATOM 0 HD22 ASN A 81 2.009 12.257 -4.934 1.00 0.00 H new ATOM 1381 N VAL A 82 1.309 8.189 -2.322 1.00 0.00 N ATOM 1382 CA VAL A 82 0.623 7.117 -1.589 1.00 0.00 C ATOM 1383 C VAL A 82 1.595 5.970 -1.307 1.00 0.00 C ATOM 1384 O VAL A 82 1.607 5.413 -0.218 1.00 0.00 O ATOM 1385 CB VAL A 82 -0.608 6.565 -2.360 1.00 0.00 C ATOM 1386 CG1 VAL A 82 -1.427 5.634 -1.482 1.00 0.00 C ATOM 1387 CG2 VAL A 82 -1.476 7.686 -2.877 1.00 0.00 C ATOM 0 H VAL A 82 0.923 8.379 -3.247 1.00 0.00 H new ATOM 0 HA VAL A 82 0.265 7.549 -0.654 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.233 5.999 -3.213 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.283 5.262 -2.045 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.808 4.795 -1.165 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.779 6.177 -0.605 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.329 7.269 -3.412 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -1.831 8.287 -2.040 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -0.895 8.313 -3.553 1.00 0.00 H new ATOM 1397 N ASN A 83 2.433 5.683 -2.291 1.00 0.00 N ATOM 1398 CA ASN A 83 3.476 4.644 -2.233 1.00 0.00 C ATOM 1399 C ASN A 83 4.328 4.819 -0.963 1.00 0.00 C ATOM 1400 O ASN A 83 4.467 3.906 -0.143 1.00 0.00 O ATOM 1401 CB ASN A 83 4.355 4.816 -3.499 1.00 0.00 C ATOM 1402 CG ASN A 83 5.475 3.798 -3.710 1.00 0.00 C ATOM 1403 OD1 ASN A 83 6.046 3.240 -2.777 1.00 0.00 O ATOM 1404 ND2 ASN A 83 5.841 3.600 -4.958 1.00 0.00 N ATOM 0 H ASN A 83 2.414 6.176 -3.184 1.00 0.00 H new ATOM 0 HA ASN A 83 3.034 3.648 -2.200 1.00 0.00 H new ATOM 0 HB2 ASN A 83 3.702 4.787 -4.371 1.00 0.00 H new ATOM 0 HB3 ASN A 83 4.802 5.810 -3.469 1.00 0.00 H new ATOM 0 HD21 ASN A 83 6.616 2.971 -5.169 1.00 0.00 H new ATOM 0 HD22 ASN A 83 5.350 4.076 -5.715 1.00 0.00 H new ATOM 1411 N GLN A 84 4.790 6.027 -0.764 1.00 0.00 N ATOM 1412 CA GLN A 84 5.647 6.362 0.355 1.00 0.00 C ATOM 1413 C GLN A 84 4.810 6.330 1.662 1.00 0.00 C ATOM 1414 O GLN A 84 5.249 5.811 2.703 1.00 0.00 O ATOM 1415 CB GLN A 84 6.235 7.765 0.101 1.00 0.00 C ATOM 1416 CG GLN A 84 7.550 8.118 0.819 1.00 0.00 C ATOM 1417 CD GLN A 84 7.485 8.035 2.323 1.00 0.00 C ATOM 1418 OE1 GLN A 84 7.117 8.987 2.993 1.00 0.00 O ATOM 1419 NE2 GLN A 84 7.897 6.923 2.865 1.00 0.00 N ATOM 0 H GLN A 84 4.583 6.816 -1.377 1.00 0.00 H new ATOM 0 HA GLN A 84 6.462 5.646 0.459 1.00 0.00 H new ATOM 0 HB2 GLN A 84 6.396 7.875 -0.971 1.00 0.00 H new ATOM 0 HB3 GLN A 84 5.485 8.502 0.388 1.00 0.00 H new ATOM 0 HG2 GLN A 84 8.333 7.448 0.465 1.00 0.00 H new ATOM 0 HG3 GLN A 84 7.843 9.129 0.536 1.00 0.00 H new ATOM 0 HE21 GLN A 84 8.197 6.148 2.274 1.00 0.00 H new ATOM 0 HE22 GLN A 84 7.919 6.828 3.880 1.00 0.00 H new ATOM 1428 N LEU A 85 3.598 6.835 1.588 1.00 0.00 N ATOM 1429 CA LEU A 85 2.714 6.905 2.748 1.00 0.00 C ATOM 1430 C LEU A 85 2.324 5.515 3.261 1.00 0.00 C ATOM 1431 O LEU A 85 2.195 5.305 4.476 1.00 0.00 O ATOM 1432 CB LEU A 85 1.487 7.760 2.438 1.00 0.00 C ATOM 1433 CG LEU A 85 1.790 9.220 2.073 1.00 0.00 C ATOM 1434 CD1 LEU A 85 0.531 9.958 1.702 1.00 0.00 C ATOM 1435 CD2 LEU A 85 2.497 9.925 3.211 1.00 0.00 C ATOM 0 H LEU A 85 3.192 7.209 0.730 1.00 0.00 H new ATOM 0 HA LEU A 85 3.265 7.387 3.555 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.941 7.301 1.614 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.826 7.747 3.304 1.00 0.00 H new ATOM 0 HG LEU A 85 2.451 9.214 1.206 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.775 10.989 1.448 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.065 9.474 0.844 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.160 9.946 2.545 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.701 10.958 2.928 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.864 9.910 4.098 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.436 9.416 3.427 1.00 0.00 H new ATOM 1447 N ILE A 86 2.169 4.564 2.354 1.00 0.00 N ATOM 1448 CA ILE A 86 1.872 3.188 2.733 1.00 0.00 C ATOM 1449 C ILE A 86 3.089 2.577 3.436 1.00 0.00 C ATOM 1450 O ILE A 86 2.950 1.932 4.475 1.00 0.00 O ATOM 1451 CB ILE A 86 1.443 2.307 1.511 1.00 0.00 C ATOM 1452 CG1 ILE A 86 0.154 2.853 0.854 1.00 0.00 C ATOM 1453 CG2 ILE A 86 1.263 0.837 1.907 1.00 0.00 C ATOM 1454 CD1 ILE A 86 -1.055 2.923 1.778 1.00 0.00 C ATOM 0 H ILE A 86 2.244 4.718 1.348 1.00 0.00 H new ATOM 0 HA ILE A 86 1.022 3.208 3.415 1.00 0.00 H new ATOM 0 HB ILE A 86 2.250 2.359 0.780 1.00 0.00 H new ATOM 0 HG12 ILE A 86 0.356 3.852 0.467 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -0.096 2.224 -0.001 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.965 0.258 1.032 1.00 0.00 H new ATOM 0 HG22 ILE A 86 2.203 0.447 2.297 1.00 0.00 H new ATOM 0 HG23 ILE A 86 0.492 0.758 2.674 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.910 3.318 1.229 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.290 1.924 2.146 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.831 3.577 2.621 1.00 0.00 H new ATOM 1466 N LEU A 87 4.280 2.851 2.903 1.00 0.00 N ATOM 1467 CA LEU A 87 5.527 2.357 3.495 1.00 0.00 C ATOM 1468 C LEU A 87 5.718 2.912 4.902 1.00 0.00 C ATOM 1469 O LEU A 87 6.112 2.197 5.818 1.00 0.00 O ATOM 1470 CB LEU A 87 6.729 2.701 2.606 1.00 0.00 C ATOM 1471 CG LEU A 87 6.738 2.042 1.223 1.00 0.00 C ATOM 1472 CD1 LEU A 87 7.960 2.460 0.433 1.00 0.00 C ATOM 1473 CD2 LEU A 87 6.685 0.530 1.354 1.00 0.00 C ATOM 0 H LEU A 87 4.409 3.413 2.062 1.00 0.00 H new ATOM 0 HA LEU A 87 5.459 1.271 3.566 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.763 3.782 2.474 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.640 2.415 3.131 1.00 0.00 H new ATOM 0 HG LEU A 87 5.852 2.377 0.683 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.943 1.979 -0.545 1.00 0.00 H new ATOM 0 HD12 LEU A 87 7.958 3.542 0.305 1.00 0.00 H new ATOM 0 HD13 LEU A 87 8.860 2.160 0.969 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.692 0.078 0.362 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.551 0.183 1.917 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.773 0.242 1.877 1.00 0.00 H new ATOM 1485 N THR A 88 5.393 4.174 5.059 1.00 0.00 N ATOM 1486 CA THR A 88 5.455 4.858 6.338 1.00 0.00 C ATOM 1487 C THR A 88 4.454 4.235 7.344 1.00 0.00 C ATOM 1488 O THR A 88 4.695 4.192 8.552 1.00 0.00 O ATOM 1489 CB THR A 88 5.174 6.363 6.134 1.00 0.00 C ATOM 1490 OG1 THR A 88 6.097 6.868 5.155 1.00 0.00 O ATOM 1491 CG2 THR A 88 5.353 7.143 7.429 1.00 0.00 C ATOM 0 H THR A 88 5.073 4.767 4.293 1.00 0.00 H new ATOM 0 HA THR A 88 6.455 4.742 6.756 1.00 0.00 H new ATOM 0 HB THR A 88 4.142 6.484 5.804 1.00 0.00 H new ATOM 0 HG1 THR A 88 5.815 6.581 4.261 1.00 0.00 H new ATOM 0 HG21 THR A 88 5.148 8.198 7.249 1.00 0.00 H new ATOM 0 HG22 THR A 88 4.663 6.762 8.182 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.377 7.028 7.784 1.00 0.00 H new ATOM 1499 N THR A 89 3.348 3.777 6.827 1.00 0.00 N ATOM 1500 CA THR A 89 2.317 3.163 7.612 1.00 0.00 C ATOM 1501 C THR A 89 2.706 1.748 8.067 1.00 0.00 C ATOM 1502 O THR A 89 2.601 1.424 9.256 1.00 0.00 O ATOM 1503 CB THR A 89 1.011 3.151 6.798 1.00 0.00 C ATOM 1504 OG1 THR A 89 0.616 4.511 6.572 1.00 0.00 O ATOM 1505 CG2 THR A 89 -0.112 2.395 7.496 1.00 0.00 C ATOM 0 H THR A 89 3.135 3.821 5.830 1.00 0.00 H new ATOM 0 HA THR A 89 2.173 3.746 8.521 1.00 0.00 H new ATOM 0 HB THR A 89 1.197 2.630 5.859 1.00 0.00 H new ATOM 0 HG1 THR A 89 1.190 4.909 5.885 1.00 0.00 H new ATOM 0 HG21 THR A 89 -1.008 2.420 6.876 1.00 0.00 H new ATOM 0 HG22 THR A 89 0.190 1.360 7.655 1.00 0.00 H new ATOM 0 HG23 THR A 89 -0.323 2.863 8.457 1.00 0.00 H new ATOM 1513 N ILE A 90 3.189 0.937 7.136 1.00 0.00 N ATOM 1514 CA ILE A 90 3.511 -0.451 7.441 1.00 0.00 C ATOM 1515 C ILE A 90 4.782 -0.589 8.262 1.00 0.00 C ATOM 1516 O ILE A 90 4.903 -1.499 9.089 1.00 0.00 O ATOM 1517 CB ILE A 90 3.583 -1.349 6.174 1.00 0.00 C ATOM 1518 CG1 ILE A 90 4.689 -0.905 5.218 1.00 0.00 C ATOM 1519 CG2 ILE A 90 2.248 -1.340 5.460 1.00 0.00 C ATOM 1520 CD1 ILE A 90 4.840 -1.803 4.009 1.00 0.00 C ATOM 0 H ILE A 90 3.366 1.213 6.170 1.00 0.00 H new ATOM 0 HA ILE A 90 2.680 -0.808 8.049 1.00 0.00 H new ATOM 0 HB ILE A 90 3.820 -2.362 6.501 1.00 0.00 H new ATOM 0 HG12 ILE A 90 4.482 0.111 4.882 1.00 0.00 H new ATOM 0 HG13 ILE A 90 5.635 -0.875 5.759 1.00 0.00 H new ATOM 0 HG21 ILE A 90 2.305 -1.971 4.573 1.00 0.00 H new ATOM 0 HG22 ILE A 90 1.476 -1.722 6.128 1.00 0.00 H new ATOM 0 HG23 ILE A 90 2.000 -0.321 5.164 1.00 0.00 H new ATOM 0 HD11 ILE A 90 5.643 -1.427 3.375 1.00 0.00 H new ATOM 0 HD12 ILE A 90 5.079 -2.815 4.335 1.00 0.00 H new ATOM 0 HD13 ILE A 90 3.907 -1.814 3.445 1.00 0.00 H new ATOM 1532 N LYS A 91 5.714 0.303 8.044 1.00 0.00 N ATOM 1533 CA LYS A 91 6.950 0.302 8.767 1.00 0.00 C ATOM 1534 C LYS A 91 6.864 1.448 9.785 1.00 0.00 C ATOM 1535 O LYS A 91 5.771 1.731 10.285 1.00 0.00 O ATOM 1536 CB LYS A 91 8.109 0.502 7.767 1.00 0.00 C ATOM 1537 CG LYS A 91 9.476 -0.014 8.229 1.00 0.00 C ATOM 1538 CD LYS A 91 9.436 -1.509 8.493 1.00 0.00 C ATOM 1539 CE LYS A 91 10.808 -2.067 8.867 1.00 0.00 C ATOM 1540 NZ LYS A 91 11.407 -1.387 10.044 1.00 0.00 N ATOM 0 H LYS A 91 5.632 1.052 7.356 1.00 0.00 H new ATOM 0 HA LYS A 91 7.130 -0.637 9.291 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.849 0.005 6.833 1.00 0.00 H new ATOM 0 HB3 LYS A 91 8.197 1.566 7.548 1.00 0.00 H new ATOM 0 HG2 LYS A 91 10.226 0.204 7.469 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.779 0.510 9.135 1.00 0.00 H new ATOM 0 HD2 LYS A 91 8.730 -1.715 9.298 1.00 0.00 H new ATOM 0 HD3 LYS A 91 9.066 -2.023 7.606 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.716 -3.133 9.077 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.480 -1.967 8.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 12.296 -1.861 10.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 11.601 -0.393 9.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 10.745 -1.431 10.845 1.00 0.00 H new ATOM 1554 N LEU A 92 7.993 2.072 10.096 1.00 0.00 N ATOM 1555 CA LEU A 92 8.080 3.177 11.039 1.00 0.00 C ATOM 1556 C LEU A 92 7.565 2.742 12.412 1.00 0.00 C ATOM 1557 O LEU A 92 6.463 3.120 12.839 1.00 0.00 O ATOM 1558 CB LEU A 92 7.311 4.417 10.530 1.00 0.00 C ATOM 1559 CG LEU A 92 7.553 5.723 11.280 1.00 0.00 C ATOM 1560 CD1 LEU A 92 8.940 6.254 10.979 1.00 0.00 C ATOM 1561 CD2 LEU A 92 6.489 6.750 10.942 1.00 0.00 C ATOM 0 H LEU A 92 8.893 1.817 9.690 1.00 0.00 H new ATOM 0 HA LEU A 92 9.128 3.460 11.132 1.00 0.00 H new ATOM 0 HB2 LEU A 92 7.569 4.572 9.482 1.00 0.00 H new ATOM 0 HB3 LEU A 92 6.244 4.195 10.566 1.00 0.00 H new ATOM 0 HG LEU A 92 7.488 5.522 12.349 1.00 0.00 H new ATOM 0 HD11 LEU A 92 9.098 7.186 11.521 1.00 0.00 H new ATOM 0 HD12 LEU A 92 9.685 5.522 11.290 1.00 0.00 H new ATOM 0 HD13 LEU A 92 9.035 6.436 9.909 1.00 0.00 H new ATOM 0 HD21 LEU A 92 6.685 7.671 11.490 1.00 0.00 H new ATOM 0 HD22 LEU A 92 6.507 6.954 9.871 1.00 0.00 H new ATOM 0 HD23 LEU A 92 5.509 6.364 11.221 1.00 0.00 H new ATOM 1573 N GLU A 93 8.304 1.887 13.052 1.00 0.00 N ATOM 1574 CA GLU A 93 7.934 1.412 14.346 1.00 0.00 C ATOM 1575 C GLU A 93 8.645 2.220 15.412 1.00 0.00 C ATOM 1576 O GLU A 93 9.869 2.361 15.394 1.00 0.00 O ATOM 1577 CB GLU A 93 8.195 -0.110 14.526 1.00 0.00 C ATOM 1578 CG GLU A 93 9.651 -0.570 14.373 1.00 0.00 C ATOM 1579 CD GLU A 93 10.146 -0.593 12.949 1.00 0.00 C ATOM 1580 OE1 GLU A 93 10.499 0.469 12.398 1.00 0.00 O ATOM 1581 OE2 GLU A 93 10.188 -1.679 12.353 1.00 0.00 O ATOM 0 H GLU A 93 9.177 1.502 12.692 1.00 0.00 H new ATOM 0 HA GLU A 93 6.858 1.547 14.451 1.00 0.00 H new ATOM 0 HB2 GLU A 93 7.845 -0.403 15.516 1.00 0.00 H new ATOM 0 HB3 GLU A 93 7.587 -0.650 13.800 1.00 0.00 H new ATOM 0 HG2 GLU A 93 10.292 0.090 14.958 1.00 0.00 H new ATOM 0 HG3 GLU A 93 9.751 -1.569 14.797 1.00 0.00 H new ATOM 1588 N HIS A 94 7.887 2.788 16.300 1.00 0.00 N ATOM 1589 CA HIS A 94 8.425 3.561 17.398 1.00 0.00 C ATOM 1590 C HIS A 94 7.688 3.224 18.670 1.00 0.00 C ATOM 1591 O HIS A 94 6.604 2.623 18.609 1.00 0.00 O ATOM 1592 CB HIS A 94 8.380 5.071 17.123 1.00 0.00 C ATOM 1593 CG HIS A 94 9.386 5.545 16.113 1.00 0.00 C ATOM 1594 ND1 HIS A 94 9.037 6.112 14.916 1.00 0.00 N ATOM 1595 CD2 HIS A 94 10.743 5.563 16.150 1.00 0.00 C ATOM 1596 CE1 HIS A 94 10.126 6.451 14.260 1.00 0.00 C ATOM 1597 NE2 HIS A 94 11.168 6.132 14.984 1.00 0.00 N ATOM 0 H HIS A 94 6.869 2.733 16.290 1.00 0.00 H new ATOM 0 HA HIS A 94 9.476 3.295 17.510 1.00 0.00 H new ATOM 0 HB2 HIS A 94 7.381 5.336 16.776 1.00 0.00 H new ATOM 0 HB3 HIS A 94 8.544 5.604 18.060 1.00 0.00 H new ATOM 0 HD2 HIS A 94 11.368 5.196 16.951 1.00 0.00 H new ATOM 0 HE1 HIS A 94 10.155 6.916 13.285 1.00 0.00 H new ATOM 0 HE2 HIS A 94 12.141 6.284 14.720 1.00 0.00 H new ATOM 1606 N HIS A 95 8.264 3.618 19.810 1.00 0.00 N ATOM 1607 CA HIS A 95 7.744 3.313 21.161 1.00 0.00 C ATOM 1608 C HIS A 95 7.914 1.816 21.411 1.00 0.00 C ATOM 1609 O HIS A 95 8.612 1.136 20.639 1.00 0.00 O ATOM 1610 CB HIS A 95 6.256 3.739 21.357 1.00 0.00 C ATOM 1611 CG HIS A 95 5.971 5.200 21.135 1.00 0.00 C ATOM 1612 ND1 HIS A 95 5.930 6.139 22.145 1.00 0.00 N ATOM 1613 CD2 HIS A 95 5.689 5.876 19.995 1.00 0.00 C ATOM 1614 CE1 HIS A 95 5.633 7.316 21.631 1.00 0.00 C ATOM 1615 NE2 HIS A 95 5.485 7.182 20.332 1.00 0.00 N ATOM 0 H HIS A 95 9.122 4.169 19.828 1.00 0.00 H new ATOM 0 HA HIS A 95 8.314 3.895 21.885 1.00 0.00 H new ATOM 0 HB2 HIS A 95 5.636 3.157 20.675 1.00 0.00 H new ATOM 0 HB3 HIS A 95 5.950 3.476 22.370 1.00 0.00 H new ATOM 0 HD2 HIS A 95 5.636 5.457 19.001 1.00 0.00 H new ATOM 0 HE1 HIS A 95 5.529 8.237 22.185 1.00 0.00 H new ATOM 0 HE2 HIS A 95 5.255 7.933 19.681 1.00 0.00 H new ATOM 1624 N HIS A 96 7.339 1.290 22.476 1.00 0.00 N ATOM 1625 CA HIS A 96 7.442 -0.145 22.707 1.00 0.00 C ATOM 1626 C HIS A 96 6.590 -0.871 21.673 1.00 0.00 C ATOM 1627 O HIS A 96 7.119 -1.638 20.878 1.00 0.00 O ATOM 1628 CB HIS A 96 7.029 -0.539 24.139 1.00 0.00 C ATOM 1629 CG HIS A 96 7.310 -1.990 24.472 1.00 0.00 C ATOM 1630 ND1 HIS A 96 6.331 -2.914 24.763 1.00 0.00 N ATOM 1631 CD2 HIS A 96 8.479 -2.653 24.575 1.00 0.00 C ATOM 1632 CE1 HIS A 96 6.895 -4.079 25.026 1.00 0.00 C ATOM 1633 NE2 HIS A 96 8.191 -3.943 24.919 1.00 0.00 N ATOM 0 H HIS A 96 6.811 1.811 23.176 1.00 0.00 H new ATOM 0 HA HIS A 96 8.486 -0.439 22.600 1.00 0.00 H new ATOM 0 HB2 HIS A 96 7.557 0.097 24.849 1.00 0.00 H new ATOM 0 HB3 HIS A 96 5.964 -0.345 24.268 1.00 0.00 H new ATOM 0 HD2 HIS A 96 9.464 -2.240 24.415 1.00 0.00 H new ATOM 0 HE1 HIS A 96 6.374 -4.989 25.285 1.00 0.00 H new ATOM 0 HE2 HIS A 96 8.877 -4.682 25.069 1.00 0.00 H new ATOM 1642 N HIS A 97 5.277 -0.585 21.713 1.00 0.00 N ATOM 1643 CA HIS A 97 4.235 -1.095 20.783 1.00 0.00 C ATOM 1644 C HIS A 97 4.499 -2.529 20.294 1.00 0.00 C ATOM 1645 O HIS A 97 4.748 -2.761 19.114 1.00 0.00 O ATOM 1646 CB HIS A 97 4.019 -0.105 19.614 1.00 0.00 C ATOM 1647 CG HIS A 97 2.855 -0.415 18.693 1.00 0.00 C ATOM 1648 ND1 HIS A 97 1.570 0.003 18.939 1.00 0.00 N ATOM 1649 CD2 HIS A 97 2.802 -1.082 17.513 1.00 0.00 C ATOM 1650 CE1 HIS A 97 0.786 -0.386 17.961 1.00 0.00 C ATOM 1651 NE2 HIS A 97 1.508 -1.044 17.088 1.00 0.00 N ATOM 0 H HIS A 97 4.888 0.035 22.423 1.00 0.00 H new ATOM 0 HA HIS A 97 3.307 -1.159 21.351 1.00 0.00 H new ATOM 0 HB2 HIS A 97 3.873 0.892 20.029 1.00 0.00 H new ATOM 0 HB3 HIS A 97 4.931 -0.072 19.018 1.00 0.00 H new ATOM 0 HD2 HIS A 97 3.630 -1.554 17.006 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -0.275 -0.196 17.888 1.00 0.00 H new ATOM 0 HE2 HIS A 97 1.157 -1.462 16.226 1.00 0.00 H new ATOM 1660 N HIS A 98 4.513 -3.461 21.214 1.00 0.00 N ATOM 1661 CA HIS A 98 4.758 -4.866 20.901 1.00 0.00 C ATOM 1662 C HIS A 98 4.174 -5.745 21.969 1.00 0.00 C ATOM 1663 O HIS A 98 4.247 -5.415 23.159 1.00 0.00 O ATOM 1664 CB HIS A 98 6.268 -5.188 20.753 1.00 0.00 C ATOM 1665 CG HIS A 98 6.890 -4.850 19.419 1.00 0.00 C ATOM 1666 ND1 HIS A 98 7.605 -3.696 19.181 1.00 0.00 N ATOM 1667 CD2 HIS A 98 6.928 -5.550 18.263 1.00 0.00 C ATOM 1668 CE1 HIS A 98 8.057 -3.701 17.945 1.00 0.00 C ATOM 1669 NE2 HIS A 98 7.661 -4.816 17.362 1.00 0.00 N ATOM 0 H HIS A 98 4.356 -3.277 22.205 1.00 0.00 H new ATOM 0 HA HIS A 98 4.277 -5.061 19.943 1.00 0.00 H new ATOM 0 HB2 HIS A 98 6.811 -4.652 21.531 1.00 0.00 H new ATOM 0 HB3 HIS A 98 6.412 -6.252 20.939 1.00 0.00 H new ATOM 0 HD1 HIS A 98 7.760 -2.951 19.860 1.00 0.00 H new ATOM 0 HD2 HIS A 98 6.467 -6.510 18.081 1.00 0.00 H new ATOM 0 HE1 HIS A 98 8.651 -2.924 17.486 1.00 0.00 H new ATOM 1678 N HIS A 99 3.562 -6.825 21.552 1.00 0.00 N ATOM 1679 CA HIS A 99 3.019 -7.839 22.443 1.00 0.00 C ATOM 1680 C HIS A 99 3.183 -9.184 21.797 1.00 0.00 C ATOM 1681 O HIS A 99 2.212 -9.693 21.228 1.00 0.00 O ATOM 1682 CB HIS A 99 1.528 -7.623 22.775 1.00 0.00 C ATOM 1683 CG HIS A 99 1.244 -6.541 23.745 1.00 0.00 C ATOM 1684 ND1 HIS A 99 1.386 -6.706 25.098 1.00 0.00 N ATOM 1685 CD2 HIS A 99 0.817 -5.275 23.569 1.00 0.00 C ATOM 1686 CE1 HIS A 99 1.062 -5.603 25.709 1.00 0.00 C ATOM 1687 NE2 HIS A 99 0.710 -4.714 24.810 1.00 0.00 N ATOM 1688 OXT HIS A 99 4.302 -9.730 21.810 1.00 0.00 O ATOM 0 H HIS A 99 3.421 -7.035 20.564 1.00 0.00 H new ATOM 0 HA HIS A 99 3.568 -7.772 23.382 1.00 0.00 H new ATOM 0 HB2 HIS A 99 0.995 -7.407 21.849 1.00 0.00 H new ATOM 0 HB3 HIS A 99 1.122 -8.555 23.167 1.00 0.00 H new ATOM 0 HD2 HIS A 99 0.601 -4.795 22.626 1.00 0.00 H new ATOM 0 HE1 HIS A 99 1.080 -5.446 26.777 1.00 0.00 H new ATOM 0 HE2 HIS A 99 0.406 -3.760 25.006 1.00 0.00 H new TER 1697 HIS A 99