USER MOD reduce.3.24.130724 H: found=0, std=0, add=1097, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1097 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 101 LYS NZ :NH3+ 152:sc= 0 (180deg=0) USER MOD Set 1.2: A 105 GLN : amide:sc= 0.00404 X(o=0.004,f=-0.11) USER MOD Set 2.1: A 2 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 99 ASN : amide:sc= -1.83 K(o=-1.8,f=-0.87) USER MOD Set 3.1: A 59 MET CE :methyl -119:sc= -12.8! (180deg=-9.84!) USER MOD Set 3.2: A 88 MET CE :methyl 151:sc= -16.3! (180deg=-16.8!) USER MOD Set 3.3: B 72 THR OG1 : rot 89:sc= -0.659! USER MOD Set 4.1: A 55 SER OG : rot -20:sc= -1.56 USER MOD Set 4.2: A 57 LYS NZ :NH3+ -173:sc= 1.69 (180deg=1.09) USER MOD Set 5.1: A 51 THR OG1 : rot 113:sc= -1.79! USER MOD Set 5.2: A 97 MET CE :methyl -167:sc= -6.11! (180deg=-7.03!) USER MOD Set 6.1: A 28 THR OG1 : rot 110:sc= -5.86! USER MOD Set 6.2: A 39 THR OG1 : rot -99:sc= -1.71! USER MOD Set 7.1: A 13 SER OG : rot 66:sc= 0.278 USER MOD Set 7.2: A 32 THR OG1 : rot 158:sc= 0.383 USER MOD Single : A 3 HIS : no HD1:sc= -5.93! C(o=-5.9!,f=-7.1!) USER MOD Single : A 4 SER OG : rot 19:sc= 0.0965 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.271 K(o=-0.27,f=-2!) USER MOD Single : A 23 SER OG : rot 180:sc= -0.956 USER MOD Single : A 31 SER OG : rot -64:sc= 0.0698 USER MOD Single : A 36 LYS NZ :NH3+ -135:sc= -0.593 (180deg=-1.68!) USER MOD Single : A 38 HIS : no HD1:sc= -0.0128 X(o=-0.013,f=0) USER MOD Single : A 43 SER OG : rot 180:sc= -0.374 USER MOD Single : A 44 THR OG1 : rot 43:sc= -0.0781 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -6.98! C(o=-7!,f=-6.7!) USER MOD Single : A 54 SER OG : rot 180:sc= -0.165 USER MOD Single : A 58 MET CE :methyl -170:sc= -2.89! (180deg=-3.26!) USER MOD Single : A 65 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.207) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -164:sc= -1.2 (180deg=-1.83) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 ASN : amide:sc=-0.00361 K(o=-0.0036,f=-1.3) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 HIS : no HE2:sc= -3.45 K(o=-3.5,f=-4.8!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -2.52 K(o=-2.5,f=-7.2!) USER MOD Single : A 93 ASN : amide:sc= -0.0368 K(o=-0.037,f=-0.56) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0974 USER MOD Single : A 102 MET CE :methyl 144:sc= -0.795 (180deg=-3.85!) USER MOD Single : A 103 THR OG1 : rot -160:sc= 0 USER MOD Single : A 106 GLN : amide:sc= -0.159 K(o=-0.16,f=-2.2!) USER MOD Single : A 109 SER OG : rot 180:sc= 0.0865 USER MOD Single : A 111 TYR OH : rot -127:sc= 0.159 USER MOD Single : A 112 LYS NZ :NH3+ 138:sc= 0.877 (180deg=-1.1) USER MOD Single : B 80 THR OG1 : rot 2:sc= 0.755 USER MOD Single : B 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 2.770 -14.897 8.490 1.00 0.00 N ATOM 2 CA PRO A 1 3.361 -15.641 7.359 1.00 0.00 C ATOM 3 C PRO A 1 2.415 -15.713 6.162 1.00 0.00 C ATOM 4 O PRO A 1 2.360 -16.723 5.460 1.00 0.00 O ATOM 5 CB PRO A 1 3.653 -17.039 7.884 1.00 0.00 C ATOM 6 CG PRO A 1 2.803 -17.159 9.118 1.00 0.00 C ATOM 7 CD PRO A 1 1.984 -15.884 9.229 1.00 0.00 C ATOM 0 H2 PRO A 1 2.183 -14.131 8.160 1.00 0.00 H new ATOM 0 H3 PRO A 1 3.494 -14.486 9.079 1.00 0.00 H new ATOM 0 HA PRO A 1 4.261 -15.139 7.004 1.00 0.00 H new ATOM 0 HB2 PRO A 1 3.396 -17.801 7.149 1.00 0.00 H new ATOM 0 HB3 PRO A 1 4.711 -17.164 8.116 1.00 0.00 H new ATOM 0 HG2 PRO A 1 2.151 -18.030 9.052 1.00 0.00 H new ATOM 0 HG3 PRO A 1 3.426 -17.294 10.002 1.00 0.00 H new ATOM 0 HD2 PRO A 1 0.991 -16.008 8.798 1.00 0.00 H new ATOM 0 HD3 PRO A 1 1.845 -15.587 10.269 1.00 0.00 H new ATOM 17 N SER A 2 1.675 -14.638 5.936 1.00 0.00 N ATOM 18 CA SER A 2 0.731 -14.574 4.826 1.00 0.00 C ATOM 19 C SER A 2 1.148 -13.508 3.818 1.00 0.00 C ATOM 20 O SER A 2 1.322 -12.341 4.170 1.00 0.00 O ATOM 21 CB SER A 2 -0.678 -14.280 5.344 1.00 0.00 C ATOM 22 OG SER A 2 -1.338 -15.473 5.731 1.00 0.00 O ATOM 0 H SER A 2 1.709 -13.794 6.508 1.00 0.00 H new ATOM 0 HA SER A 2 0.732 -15.542 4.325 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.622 -13.600 6.194 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.256 -13.776 4.569 1.00 0.00 H new ATOM 0 HG SER A 2 -2.236 -15.258 6.060 1.00 0.00 H new ATOM 28 N HIS A 3 1.308 -13.917 2.564 1.00 0.00 N ATOM 29 CA HIS A 3 1.705 -12.997 1.503 1.00 0.00 C ATOM 30 C HIS A 3 0.618 -12.885 0.451 1.00 0.00 C ATOM 31 O HIS A 3 0.316 -11.795 -0.035 1.00 0.00 O ATOM 32 CB HIS A 3 3.010 -13.461 0.852 1.00 0.00 C ATOM 33 CG HIS A 3 4.037 -13.938 1.831 1.00 0.00 C ATOM 34 ND1 HIS A 3 4.111 -13.481 3.130 1.00 0.00 N ATOM 35 CD2 HIS A 3 5.038 -14.841 1.695 1.00 0.00 C ATOM 36 CE1 HIS A 3 5.112 -14.081 3.750 1.00 0.00 C ATOM 37 NE2 HIS A 3 5.690 -14.911 2.902 1.00 0.00 N ATOM 0 H HIS A 3 1.169 -14.880 2.257 1.00 0.00 H new ATOM 0 HA HIS A 3 1.860 -12.015 1.950 1.00 0.00 H new ATOM 0 HB2 HIS A 3 2.789 -14.265 0.150 1.00 0.00 H new ATOM 0 HB3 HIS A 3 3.429 -12.638 0.272 1.00 0.00 H new ATOM 0 HD2 HIS A 3 5.278 -15.401 0.804 1.00 0.00 H new ATOM 0 HE1 HIS A 3 5.407 -13.920 4.776 1.00 0.00 H new ATOM 0 HE2 HIS A 3 6.491 -15.508 3.109 1.00 0.00 H new ATOM 46 N SER A 4 0.031 -14.016 0.107 1.00 0.00 N ATOM 47 CA SER A 4 -1.030 -14.042 -0.886 1.00 0.00 C ATOM 48 C SER A 4 -2.373 -13.732 -0.248 1.00 0.00 C ATOM 49 O SER A 4 -2.737 -14.295 0.784 1.00 0.00 O ATOM 50 CB SER A 4 -1.092 -15.392 -1.598 1.00 0.00 C ATOM 51 OG SER A 4 -1.449 -16.429 -0.701 1.00 0.00 O ATOM 0 H SER A 4 0.269 -14.927 0.498 1.00 0.00 H new ATOM 0 HA SER A 4 -0.804 -13.274 -1.626 1.00 0.00 H new ATOM 0 HB2 SER A 4 -1.817 -15.345 -2.410 1.00 0.00 H new ATOM 0 HB3 SER A 4 -0.124 -15.614 -2.048 1.00 0.00 H new ATOM 0 HG SER A 4 -1.868 -16.042 0.096 1.00 0.00 H new ATOM 57 N GLY A 5 -3.098 -12.829 -0.880 1.00 0.00 N ATOM 58 CA GLY A 5 -4.398 -12.429 -0.395 1.00 0.00 C ATOM 59 C GLY A 5 -5.182 -11.737 -1.481 1.00 0.00 C ATOM 60 O GLY A 5 -4.693 -11.598 -2.599 1.00 0.00 O ATOM 0 H GLY A 5 -2.803 -12.358 -1.735 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -4.946 -13.304 -0.045 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -4.283 -11.762 0.459 1.00 0.00 H new ATOM 64 N ALA A 6 -6.391 -11.304 -1.173 1.00 0.00 N ATOM 65 CA ALA A 6 -7.205 -10.627 -2.168 1.00 0.00 C ATOM 66 C ALA A 6 -7.214 -9.125 -1.940 1.00 0.00 C ATOM 67 O ALA A 6 -7.278 -8.653 -0.805 1.00 0.00 O ATOM 68 CB ALA A 6 -8.618 -11.180 -2.179 1.00 0.00 C ATOM 0 H ALA A 6 -6.827 -11.406 -0.256 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.760 -10.814 -3.145 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.208 -10.657 -2.932 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.590 -12.244 -2.414 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.072 -11.037 -1.199 1.00 0.00 H new ATOM 74 N ALA A 7 -7.146 -8.382 -3.035 1.00 0.00 N ATOM 75 CA ALA A 7 -7.142 -6.930 -2.976 1.00 0.00 C ATOM 76 C ALA A 7 -7.867 -6.340 -4.172 1.00 0.00 C ATOM 77 O ALA A 7 -7.992 -6.988 -5.211 1.00 0.00 O ATOM 78 CB ALA A 7 -5.714 -6.409 -2.910 1.00 0.00 C ATOM 0 H ALA A 7 -7.093 -8.764 -3.979 1.00 0.00 H new ATOM 0 HA ALA A 7 -7.669 -6.622 -2.073 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.726 -5.320 -2.866 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -5.224 -6.803 -2.020 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -5.168 -6.731 -3.797 1.00 0.00 H new ATOM 84 N ILE A 8 -8.348 -5.112 -4.030 1.00 0.00 N ATOM 85 CA ILE A 8 -9.057 -4.462 -5.116 1.00 0.00 C ATOM 86 C ILE A 8 -8.586 -3.028 -5.314 1.00 0.00 C ATOM 87 O ILE A 8 -8.294 -2.314 -4.354 1.00 0.00 O ATOM 88 CB ILE A 8 -10.577 -4.471 -4.879 1.00 0.00 C ATOM 89 CG1 ILE A 8 -11.090 -5.904 -4.816 1.00 0.00 C ATOM 90 CG2 ILE A 8 -11.282 -3.711 -5.990 1.00 0.00 C ATOM 91 CD1 ILE A 8 -12.283 -6.074 -3.903 1.00 0.00 C ATOM 0 H ILE A 8 -8.260 -4.553 -3.181 1.00 0.00 H new ATOM 0 HA ILE A 8 -8.835 -5.032 -6.018 1.00 0.00 H new ATOM 0 HB ILE A 8 -10.788 -3.981 -3.928 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -11.361 -6.230 -5.820 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -10.285 -6.556 -4.476 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -12.358 -3.723 -5.813 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -10.928 -2.680 -6.007 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -11.066 -4.184 -6.948 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -12.597 -7.118 -3.905 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -12.011 -5.779 -2.890 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -13.103 -5.448 -4.255 1.00 0.00 H new ATOM 103 N PHE A 9 -8.522 -2.617 -6.573 1.00 0.00 N ATOM 104 CA PHE A 9 -8.095 -1.270 -6.921 1.00 0.00 C ATOM 105 C PHE A 9 -8.852 -0.769 -8.149 1.00 0.00 C ATOM 106 O PHE A 9 -9.143 -1.538 -9.065 1.00 0.00 O ATOM 107 CB PHE A 9 -6.588 -1.245 -7.177 1.00 0.00 C ATOM 108 CG PHE A 9 -6.073 0.107 -7.572 1.00 0.00 C ATOM 109 CD1 PHE A 9 -6.179 0.540 -8.881 1.00 0.00 C ATOM 110 CD2 PHE A 9 -5.486 0.941 -6.636 1.00 0.00 C ATOM 111 CE1 PHE A 9 -5.707 1.785 -9.253 1.00 0.00 C ATOM 112 CE2 PHE A 9 -5.012 2.187 -6.999 1.00 0.00 C ATOM 113 CZ PHE A 9 -5.123 2.610 -8.310 1.00 0.00 C ATOM 0 H PHE A 9 -8.762 -3.201 -7.374 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.319 -0.607 -6.085 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -6.069 -1.575 -6.277 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.349 -1.961 -7.963 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -6.635 -0.101 -9.621 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.398 0.614 -5.610 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -5.794 2.112 -10.278 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -4.556 2.829 -6.260 1.00 0.00 H new ATOM 0 HZ PHE A 9 -4.754 3.584 -8.597 1.00 0.00 H new ATOM 123 N GLU A 10 -9.175 0.522 -8.158 1.00 0.00 N ATOM 124 CA GLU A 10 -9.908 1.126 -9.266 1.00 0.00 C ATOM 125 C GLU A 10 -11.129 0.293 -9.639 1.00 0.00 C ATOM 126 O GLU A 10 -11.512 0.217 -10.807 1.00 0.00 O ATOM 127 CB GLU A 10 -9.001 1.308 -10.481 1.00 0.00 C ATOM 128 CG GLU A 10 -8.482 2.725 -10.623 1.00 0.00 C ATOM 129 CD GLU A 10 -7.572 2.899 -11.823 1.00 0.00 C ATOM 130 OE1 GLU A 10 -7.778 2.191 -12.832 1.00 0.00 O ATOM 131 OE2 GLU A 10 -6.655 3.744 -11.755 1.00 0.00 O ATOM 0 H GLU A 10 -8.939 1.171 -7.407 1.00 0.00 H new ATOM 0 HA GLU A 10 -10.252 2.107 -8.938 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.156 0.623 -10.403 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.550 1.036 -11.382 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.326 3.409 -10.710 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.940 3.001 -9.718 1.00 0.00 H new ATOM 138 N LYS A 11 -11.743 -0.320 -8.634 1.00 0.00 N ATOM 139 CA LYS A 11 -12.933 -1.139 -8.843 1.00 0.00 C ATOM 140 C LYS A 11 -12.602 -2.437 -9.577 1.00 0.00 C ATOM 141 O LYS A 11 -13.498 -3.107 -10.092 1.00 0.00 O ATOM 142 CB LYS A 11 -13.995 -0.355 -9.623 1.00 0.00 C ATOM 143 CG LYS A 11 -13.958 1.147 -9.377 1.00 0.00 C ATOM 144 CD LYS A 11 -15.304 1.793 -9.663 1.00 0.00 C ATOM 145 CE LYS A 11 -15.591 2.932 -8.698 1.00 0.00 C ATOM 146 NZ LYS A 11 -17.031 3.312 -8.700 1.00 0.00 N ATOM 0 H LYS A 11 -11.436 -0.266 -7.663 1.00 0.00 H new ATOM 0 HA LYS A 11 -13.327 -1.398 -7.860 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -13.861 -0.542 -10.688 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -14.982 -0.733 -9.355 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -13.673 1.340 -8.343 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -13.194 1.601 -10.008 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -15.318 2.169 -10.686 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -16.092 1.044 -9.588 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -15.294 2.638 -7.691 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -14.987 3.798 -8.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -17.185 4.092 -8.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -17.308 3.617 -9.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -17.607 2.493 -8.417 1.00 0.00 H new ATOM 160 N VAL A 12 -11.323 -2.801 -9.613 1.00 0.00 N ATOM 161 CA VAL A 12 -10.905 -4.031 -10.271 1.00 0.00 C ATOM 162 C VAL A 12 -10.346 -5.000 -9.243 1.00 0.00 C ATOM 163 O VAL A 12 -9.396 -4.677 -8.531 1.00 0.00 O ATOM 164 CB VAL A 12 -9.844 -3.772 -11.357 1.00 0.00 C ATOM 165 CG1 VAL A 12 -9.731 -4.973 -12.285 1.00 0.00 C ATOM 166 CG2 VAL A 12 -10.174 -2.512 -12.145 1.00 0.00 C ATOM 0 H VAL A 12 -10.563 -2.264 -9.196 1.00 0.00 H new ATOM 0 HA VAL A 12 -11.783 -4.459 -10.754 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.881 -3.622 -10.868 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.977 -4.774 -13.047 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.442 -5.852 -11.709 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.693 -5.154 -12.765 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.411 -2.349 -12.906 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.146 -2.627 -12.624 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.201 -1.657 -11.469 1.00 0.00 H new ATOM 176 N SER A 13 -10.951 -6.178 -9.145 1.00 0.00 N ATOM 177 CA SER A 13 -10.509 -7.165 -8.171 1.00 0.00 C ATOM 178 C SER A 13 -9.415 -8.065 -8.720 1.00 0.00 C ATOM 179 O SER A 13 -9.338 -8.327 -9.919 1.00 0.00 O ATOM 180 CB SER A 13 -11.684 -8.008 -7.680 1.00 0.00 C ATOM 181 OG SER A 13 -12.323 -8.672 -8.756 1.00 0.00 O ATOM 0 H SER A 13 -11.740 -6.470 -9.722 1.00 0.00 H new ATOM 0 HA SER A 13 -10.090 -6.612 -7.330 1.00 0.00 H new ATOM 0 HB2 SER A 13 -11.331 -8.741 -6.955 1.00 0.00 H new ATOM 0 HB3 SER A 13 -12.402 -7.370 -7.165 1.00 0.00 H new ATOM 0 HG SER A 13 -11.710 -9.331 -9.144 1.00 0.00 H new ATOM 187 N GLY A 14 -8.561 -8.511 -7.807 1.00 0.00 N ATOM 188 CA GLY A 14 -7.442 -9.362 -8.149 1.00 0.00 C ATOM 189 C GLY A 14 -6.817 -9.964 -6.911 1.00 0.00 C ATOM 190 O GLY A 14 -7.298 -9.739 -5.800 1.00 0.00 O ATOM 0 H GLY A 14 -8.629 -8.291 -6.813 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -7.776 -10.158 -8.815 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -6.695 -8.784 -8.693 1.00 0.00 H new ATOM 194 N ILE A 15 -5.745 -10.724 -7.085 1.00 0.00 N ATOM 195 CA ILE A 15 -5.076 -11.339 -5.949 1.00 0.00 C ATOM 196 C ILE A 15 -3.758 -10.631 -5.686 1.00 0.00 C ATOM 197 O ILE A 15 -2.995 -10.338 -6.606 1.00 0.00 O ATOM 198 CB ILE A 15 -4.807 -12.844 -6.168 1.00 0.00 C ATOM 199 CG1 ILE A 15 -5.952 -13.488 -6.953 1.00 0.00 C ATOM 200 CG2 ILE A 15 -4.618 -13.547 -4.828 1.00 0.00 C ATOM 201 CD1 ILE A 15 -5.681 -14.923 -7.349 1.00 0.00 C ATOM 0 H ILE A 15 -5.324 -10.928 -7.991 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.742 -11.241 -5.092 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.892 -12.950 -6.750 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.860 -13.451 -6.351 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.141 -12.901 -7.852 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.429 -14.607 -4.997 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.771 -13.107 -4.302 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.519 -13.430 -4.226 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -6.535 -15.315 -7.902 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.791 -14.965 -7.977 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -5.522 -15.524 -6.454 1.00 0.00 H new ATOM 213 N ILE A 16 -3.521 -10.331 -4.419 1.00 0.00 N ATOM 214 CA ILE A 16 -2.326 -9.622 -4.002 1.00 0.00 C ATOM 215 C ILE A 16 -1.340 -10.574 -3.325 1.00 0.00 C ATOM 216 O ILE A 16 -1.708 -11.314 -2.415 1.00 0.00 O ATOM 217 CB ILE A 16 -2.703 -8.484 -3.033 1.00 0.00 C ATOM 218 CG1 ILE A 16 -1.467 -7.697 -2.603 1.00 0.00 C ATOM 219 CG2 ILE A 16 -3.445 -9.036 -1.824 1.00 0.00 C ATOM 220 CD1 ILE A 16 -1.782 -6.270 -2.214 1.00 0.00 C ATOM 0 H ILE A 16 -4.151 -10.572 -3.654 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.848 -9.201 -4.887 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.367 -7.797 -3.558 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.996 -8.202 -1.760 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.743 -7.694 -3.418 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -3.703 -8.218 -1.151 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -4.356 -9.536 -2.153 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.808 -9.749 -1.301 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.864 -5.762 -1.918 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.226 -5.751 -3.063 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.483 -6.267 -1.380 1.00 0.00 H new ATOM 232 N ALA A 17 -0.094 -10.575 -3.794 1.00 0.00 N ATOM 233 CA ALA A 17 0.920 -11.472 -3.238 1.00 0.00 C ATOM 234 C ALA A 17 2.293 -10.815 -3.119 1.00 0.00 C ATOM 235 O ALA A 17 2.702 -10.047 -3.988 1.00 0.00 O ATOM 236 CB ALA A 17 1.031 -12.709 -4.110 1.00 0.00 C ATOM 0 H ALA A 17 0.236 -9.973 -4.548 1.00 0.00 H new ATOM 0 HA ALA A 17 0.598 -11.734 -2.230 1.00 0.00 H new ATOM 0 HB1 ALA A 17 1.786 -13.378 -3.697 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.069 -13.221 -4.139 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.318 -12.417 -5.120 1.00 0.00 H new ATOM 242 N ILE A 18 3.012 -11.155 -2.046 1.00 0.00 N ATOM 243 CA ILE A 18 4.357 -10.632 -1.819 1.00 0.00 C ATOM 244 C ILE A 18 5.405 -11.671 -2.205 1.00 0.00 C ATOM 245 O ILE A 18 5.203 -12.872 -2.025 1.00 0.00 O ATOM 246 CB ILE A 18 4.581 -10.218 -0.352 1.00 0.00 C ATOM 247 CG1 ILE A 18 3.491 -9.249 0.102 1.00 0.00 C ATOM 248 CG2 ILE A 18 5.957 -9.591 -0.179 1.00 0.00 C ATOM 249 CD1 ILE A 18 2.665 -9.785 1.244 1.00 0.00 C ATOM 0 H ILE A 18 2.682 -11.792 -1.321 1.00 0.00 H new ATOM 0 HA ILE A 18 4.459 -9.745 -2.445 1.00 0.00 H new ATOM 0 HB ILE A 18 4.529 -11.112 0.270 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.951 -8.308 0.404 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.836 -9.027 -0.740 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.098 -9.305 0.863 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.724 -10.311 -0.464 1.00 0.00 H new ATOM 0 HG23 ILE A 18 6.036 -8.707 -0.812 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.908 -9.051 1.521 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.178 -10.711 0.938 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.311 -9.981 2.100 1.00 0.00 H new ATOM 261 N ASN A 19 6.517 -11.196 -2.743 1.00 0.00 N ATOM 262 CA ASN A 19 7.605 -12.069 -3.170 1.00 0.00 C ATOM 263 C ASN A 19 8.907 -11.697 -2.482 1.00 0.00 C ATOM 264 O ASN A 19 9.488 -10.645 -2.753 1.00 0.00 O ATOM 265 CB ASN A 19 7.780 -11.990 -4.687 1.00 0.00 C ATOM 266 CG ASN A 19 8.240 -13.306 -5.285 1.00 0.00 C ATOM 267 OD1 ASN A 19 7.994 -14.374 -4.726 1.00 0.00 O ATOM 268 ND2 ASN A 19 8.913 -13.234 -6.428 1.00 0.00 N ATOM 0 H ASN A 19 6.693 -10.203 -2.896 1.00 0.00 H new ATOM 0 HA ASN A 19 7.347 -13.090 -2.889 1.00 0.00 H new ATOM 0 HB2 ASN A 19 6.835 -11.697 -5.144 1.00 0.00 H new ATOM 0 HB3 ASN A 19 8.505 -11.212 -4.926 1.00 0.00 H new ATOM 0 HD21 ASN A 19 9.248 -14.086 -6.877 1.00 0.00 H new ATOM 0 HD22 ASN A 19 9.094 -12.326 -6.857 1.00 0.00 H new ATOM 275 N GLU A 20 9.369 -12.581 -1.605 1.00 0.00 N ATOM 276 CA GLU A 20 10.617 -12.366 -0.889 1.00 0.00 C ATOM 277 C GLU A 20 11.691 -13.294 -1.432 1.00 0.00 C ATOM 278 O GLU A 20 12.618 -13.685 -0.723 1.00 0.00 O ATOM 279 CB GLU A 20 10.427 -12.592 0.612 1.00 0.00 C ATOM 280 CG GLU A 20 11.314 -11.710 1.476 1.00 0.00 C ATOM 281 CD GLU A 20 11.221 -12.055 2.949 1.00 0.00 C ATOM 282 OE1 GLU A 20 11.942 -12.975 3.391 1.00 0.00 O ATOM 283 OE2 GLU A 20 10.426 -11.407 3.662 1.00 0.00 O ATOM 0 H GLU A 20 8.896 -13.454 -1.374 1.00 0.00 H new ATOM 0 HA GLU A 20 10.931 -11.333 -1.039 1.00 0.00 H new ATOM 0 HB2 GLU A 20 9.384 -12.408 0.870 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.633 -13.637 0.843 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.349 -11.809 1.148 1.00 0.00 H new ATOM 0 HG3 GLU A 20 11.033 -10.667 1.332 1.00 0.00 H new ATOM 290 N ASP A 21 11.550 -13.633 -2.706 1.00 0.00 N ATOM 291 CA ASP A 21 12.497 -14.511 -3.381 1.00 0.00 C ATOM 292 C ASP A 21 13.465 -13.698 -4.232 1.00 0.00 C ATOM 293 O ASP A 21 14.592 -14.124 -4.486 1.00 0.00 O ATOM 294 CB ASP A 21 11.754 -15.523 -4.254 1.00 0.00 C ATOM 295 CG ASP A 21 12.480 -16.851 -4.343 1.00 0.00 C ATOM 296 OD1 ASP A 21 13.358 -16.990 -5.220 1.00 0.00 O ATOM 297 OD2 ASP A 21 12.170 -17.753 -3.536 1.00 0.00 O ATOM 0 H ASP A 21 10.783 -13.311 -3.297 1.00 0.00 H new ATOM 0 HA ASP A 21 13.066 -15.050 -2.624 1.00 0.00 H new ATOM 0 HB2 ASP A 21 10.755 -15.684 -3.849 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.629 -15.112 -5.256 1.00 0.00 H new ATOM 302 N VAL A 22 13.021 -12.521 -4.664 1.00 0.00 N ATOM 303 CA VAL A 22 13.857 -11.644 -5.480 1.00 0.00 C ATOM 304 C VAL A 22 14.536 -10.592 -4.609 1.00 0.00 C ATOM 305 O VAL A 22 14.184 -10.424 -3.442 1.00 0.00 O ATOM 306 CB VAL A 22 13.053 -10.936 -6.598 1.00 0.00 C ATOM 307 CG1 VAL A 22 13.390 -11.531 -7.957 1.00 0.00 C ATOM 308 CG2 VAL A 22 11.553 -11.007 -6.340 1.00 0.00 C ATOM 0 H VAL A 22 12.091 -12.153 -4.464 1.00 0.00 H new ATOM 0 HA VAL A 22 14.607 -12.278 -5.953 1.00 0.00 H new ATOM 0 HB VAL A 22 13.339 -9.884 -6.596 1.00 0.00 H new ATOM 0 HG11 VAL A 22 12.815 -11.021 -8.730 1.00 0.00 H new ATOM 0 HG12 VAL A 22 14.455 -11.407 -8.155 1.00 0.00 H new ATOM 0 HG13 VAL A 22 13.142 -12.592 -7.961 1.00 0.00 H new ATOM 0 HG21 VAL A 22 11.021 -10.500 -7.145 1.00 0.00 H new ATOM 0 HG22 VAL A 22 11.240 -12.050 -6.299 1.00 0.00 H new ATOM 0 HG23 VAL A 22 11.324 -10.522 -5.391 1.00 0.00 H new ATOM 318 N SER A 23 15.513 -9.884 -5.176 1.00 0.00 N ATOM 319 CA SER A 23 16.229 -8.852 -4.431 1.00 0.00 C ATOM 320 C SER A 23 15.248 -7.906 -3.742 1.00 0.00 C ATOM 321 O SER A 23 15.138 -7.909 -2.516 1.00 0.00 O ATOM 322 CB SER A 23 17.171 -8.070 -5.347 1.00 0.00 C ATOM 323 OG SER A 23 16.917 -8.360 -6.711 1.00 0.00 O ATOM 0 H SER A 23 15.824 -10.005 -6.140 1.00 0.00 H new ATOM 0 HA SER A 23 16.829 -9.345 -3.666 1.00 0.00 H new ATOM 0 HB2 SER A 23 17.050 -7.001 -5.171 1.00 0.00 H new ATOM 0 HB3 SER A 23 18.205 -8.317 -5.106 1.00 0.00 H new ATOM 0 HG SER A 23 17.532 -7.846 -7.275 1.00 0.00 H new ATOM 329 N PRO A 24 14.498 -7.095 -4.515 1.00 0.00 N ATOM 330 CA PRO A 24 13.519 -6.179 -3.947 1.00 0.00 C ATOM 331 C PRO A 24 12.237 -6.899 -3.584 1.00 0.00 C ATOM 332 O PRO A 24 11.298 -6.943 -4.379 1.00 0.00 O ATOM 333 CB PRO A 24 13.252 -5.196 -5.076 1.00 0.00 C ATOM 334 CG PRO A 24 13.462 -5.996 -6.317 1.00 0.00 C ATOM 335 CD PRO A 24 14.523 -7.021 -5.990 1.00 0.00 C ATOM 0 HA PRO A 24 13.878 -5.709 -3.031 1.00 0.00 H new ATOM 0 HB2 PRO A 24 12.238 -4.798 -5.026 1.00 0.00 H new ATOM 0 HB3 PRO A 24 13.931 -4.345 -5.032 1.00 0.00 H new ATOM 0 HG2 PRO A 24 12.536 -6.481 -6.628 1.00 0.00 H new ATOM 0 HG3 PRO A 24 13.780 -5.358 -7.141 1.00 0.00 H new ATOM 0 HD2 PRO A 24 14.299 -7.987 -6.443 1.00 0.00 H new ATOM 0 HD3 PRO A 24 15.502 -6.715 -6.359 1.00 0.00 H new ATOM 343 N ALA A 25 12.197 -7.464 -2.385 1.00 0.00 N ATOM 344 CA ALA A 25 11.011 -8.181 -1.928 1.00 0.00 C ATOM 345 C ALA A 25 9.782 -7.347 -2.215 1.00 0.00 C ATOM 346 O ALA A 25 9.459 -6.429 -1.473 1.00 0.00 O ATOM 347 CB ALA A 25 11.100 -8.505 -0.451 1.00 0.00 C ATOM 0 H ALA A 25 12.965 -7.441 -1.714 1.00 0.00 H new ATOM 0 HA ALA A 25 10.944 -9.126 -2.467 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.202 -9.039 -0.141 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.975 -9.129 -0.267 1.00 0.00 H new ATOM 0 HB3 ALA A 25 11.188 -7.580 0.120 1.00 0.00 H new ATOM 353 N GLU A 26 9.140 -7.649 -3.327 1.00 0.00 N ATOM 354 CA GLU A 26 7.974 -6.900 -3.774 1.00 0.00 C ATOM 355 C GLU A 26 6.727 -7.767 -3.845 1.00 0.00 C ATOM 356 O GLU A 26 6.799 -8.983 -3.713 1.00 0.00 O ATOM 357 CB GLU A 26 8.265 -6.270 -5.130 1.00 0.00 C ATOM 358 CG GLU A 26 8.852 -7.241 -6.140 1.00 0.00 C ATOM 359 CD GLU A 26 8.309 -7.028 -7.539 1.00 0.00 C ATOM 360 OE1 GLU A 26 8.037 -5.863 -7.899 1.00 0.00 O ATOM 361 OE2 GLU A 26 8.155 -8.025 -8.275 1.00 0.00 O ATOM 0 H GLU A 26 9.407 -8.415 -3.945 1.00 0.00 H new ATOM 0 HA GLU A 26 7.774 -6.119 -3.041 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.342 -5.854 -5.533 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.957 -5.439 -4.994 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.936 -7.132 -6.155 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.639 -8.262 -5.823 1.00 0.00 H new ATOM 368 N LEU A 27 5.580 -7.126 -4.055 1.00 0.00 N ATOM 369 CA LEU A 27 4.318 -7.824 -4.139 1.00 0.00 C ATOM 370 C LEU A 27 3.567 -7.370 -5.371 1.00 0.00 C ATOM 371 O LEU A 27 3.553 -6.181 -5.690 1.00 0.00 O ATOM 372 CB LEU A 27 3.479 -7.561 -2.886 1.00 0.00 C ATOM 373 CG LEU A 27 3.101 -6.096 -2.657 1.00 0.00 C ATOM 374 CD1 LEU A 27 1.802 -5.759 -3.376 1.00 0.00 C ATOM 375 CD2 LEU A 27 2.980 -5.804 -1.169 1.00 0.00 C ATOM 0 H LEU A 27 5.508 -6.115 -4.170 1.00 0.00 H new ATOM 0 HA LEU A 27 4.510 -8.895 -4.209 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.565 -8.151 -2.949 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.030 -7.919 -2.016 1.00 0.00 H new ATOM 0 HG LEU A 27 3.892 -5.468 -3.068 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.550 -4.713 -3.201 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.924 -5.929 -4.446 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.001 -6.393 -2.997 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.711 -4.758 -1.024 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.209 -6.441 -0.735 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.933 -6.004 -0.680 1.00 0.00 H new ATOM 387 N THR A 28 2.944 -8.305 -6.071 1.00 0.00 N ATOM 388 CA THR A 28 2.206 -7.950 -7.267 1.00 0.00 C ATOM 389 C THR A 28 0.747 -8.337 -7.153 1.00 0.00 C ATOM 390 O THR A 28 0.383 -9.309 -6.492 1.00 0.00 O ATOM 391 CB THR A 28 2.835 -8.579 -8.506 1.00 0.00 C ATOM 392 OG1 THR A 28 4.121 -8.042 -8.741 1.00 0.00 O ATOM 393 CG2 THR A 28 2.015 -8.388 -9.766 1.00 0.00 C ATOM 0 H THR A 28 2.935 -9.297 -5.836 1.00 0.00 H new ATOM 0 HA THR A 28 2.256 -6.866 -7.372 1.00 0.00 H new ATOM 0 HB THR A 28 2.886 -9.646 -8.291 1.00 0.00 H new ATOM 0 HG1 THR A 28 4.799 -8.724 -8.555 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.523 -8.861 -10.606 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.033 -8.842 -9.633 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.898 -7.323 -9.966 1.00 0.00 H new ATOM 401 N TRP A 29 -0.076 -7.538 -7.799 1.00 0.00 N ATOM 402 CA TRP A 29 -1.513 -7.730 -7.797 1.00 0.00 C ATOM 403 C TRP A 29 -1.997 -8.161 -9.175 1.00 0.00 C ATOM 404 O TRP A 29 -1.619 -7.571 -10.179 1.00 0.00 O ATOM 405 CB TRP A 29 -2.178 -6.421 -7.386 1.00 0.00 C ATOM 406 CG TRP A 29 -3.659 -6.507 -7.253 1.00 0.00 C ATOM 407 CD1 TRP A 29 -4.357 -6.937 -6.165 1.00 0.00 C ATOM 408 CD2 TRP A 29 -4.626 -6.137 -8.236 1.00 0.00 C ATOM 409 NE1 TRP A 29 -5.703 -6.856 -6.410 1.00 0.00 N ATOM 410 CE2 TRP A 29 -5.895 -6.368 -7.674 1.00 0.00 C ATOM 411 CE3 TRP A 29 -4.544 -5.632 -9.536 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -7.072 -6.112 -8.364 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -5.721 -5.379 -10.221 1.00 0.00 C ATOM 414 CH2 TRP A 29 -6.968 -5.619 -9.633 1.00 0.00 C ATOM 0 H TRP A 29 0.233 -6.733 -8.343 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.776 -8.516 -7.090 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -1.757 -6.095 -6.435 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -1.934 -5.655 -8.122 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -3.915 -7.290 -5.245 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -6.441 -7.117 -5.757 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -3.585 -5.443 -9.996 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -8.036 -6.296 -7.913 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -5.676 -4.989 -11.227 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -7.867 -5.410 -10.195 1.00 0.00 H new ATOM 425 N ARG A 30 -2.826 -9.196 -9.223 1.00 0.00 N ATOM 426 CA ARG A 30 -3.343 -9.692 -10.498 1.00 0.00 C ATOM 427 C ARG A 30 -4.862 -9.820 -10.467 1.00 0.00 C ATOM 428 O ARG A 30 -5.414 -10.535 -9.632 1.00 0.00 O ATOM 429 CB ARG A 30 -2.714 -11.046 -10.832 1.00 0.00 C ATOM 430 CG ARG A 30 -2.743 -11.380 -12.315 1.00 0.00 C ATOM 431 CD ARG A 30 -3.850 -12.370 -12.643 1.00 0.00 C ATOM 432 NE ARG A 30 -3.343 -13.734 -12.774 1.00 0.00 N ATOM 433 CZ ARG A 30 -2.500 -14.124 -13.727 1.00 0.00 C ATOM 434 NH1 ARG A 30 -2.066 -13.258 -14.634 1.00 0.00 N ATOM 435 NH2 ARG A 30 -2.088 -15.383 -13.772 1.00 0.00 N ATOM 0 H ARG A 30 -3.154 -9.706 -8.403 1.00 0.00 H new ATOM 0 HA ARG A 30 -3.078 -8.970 -11.270 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -1.680 -11.052 -10.487 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -3.239 -11.827 -10.282 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -2.888 -10.467 -12.892 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -1.781 -11.796 -12.614 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -4.608 -12.339 -11.860 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -4.338 -12.074 -13.572 1.00 0.00 H new ATOM 0 HE ARG A 30 -3.654 -14.429 -12.095 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -2.378 -12.288 -14.603 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -1.420 -13.563 -15.362 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -2.417 -16.052 -13.076 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -1.442 -15.682 -14.502 1.00 0.00 H new ATOM 449 N SER A 31 -5.540 -9.126 -11.382 1.00 0.00 N ATOM 450 CA SER A 31 -6.996 -9.179 -11.443 1.00 0.00 C ATOM 451 C SER A 31 -7.482 -10.611 -11.642 1.00 0.00 C ATOM 452 O SER A 31 -6.775 -11.443 -12.210 1.00 0.00 O ATOM 453 CB SER A 31 -7.524 -8.290 -12.568 1.00 0.00 C ATOM 454 OG SER A 31 -6.832 -8.535 -13.778 1.00 0.00 O ATOM 0 H SER A 31 -5.106 -8.526 -12.084 1.00 0.00 H new ATOM 0 HA SER A 31 -7.381 -8.810 -10.493 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.589 -8.473 -12.711 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.415 -7.242 -12.289 1.00 0.00 H new ATOM 0 HG SER A 31 -5.890 -8.285 -13.673 1.00 0.00 H new ATOM 460 N THR A 32 -8.692 -10.891 -11.169 1.00 0.00 N ATOM 461 CA THR A 32 -9.271 -12.224 -11.295 1.00 0.00 C ATOM 462 C THR A 32 -9.576 -12.553 -12.753 1.00 0.00 C ATOM 463 O THR A 32 -9.614 -13.720 -13.142 1.00 0.00 O ATOM 464 CB THR A 32 -10.546 -12.337 -10.453 1.00 0.00 C ATOM 465 OG1 THR A 32 -10.937 -11.068 -9.956 1.00 0.00 O ATOM 466 CG2 THR A 32 -10.399 -13.269 -9.269 1.00 0.00 C ATOM 0 H THR A 32 -9.290 -10.214 -10.696 1.00 0.00 H new ATOM 0 HA THR A 32 -8.539 -12.943 -10.927 1.00 0.00 H new ATOM 0 HB THR A 32 -11.300 -12.745 -11.126 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.892 -11.083 -9.737 1.00 0.00 H new ATOM 0 HG21 THR A 32 -11.337 -13.304 -8.715 1.00 0.00 H new ATOM 0 HG22 THR A 32 -10.149 -14.269 -9.622 1.00 0.00 H new ATOM 0 HG23 THR A 32 -9.605 -12.906 -8.616 1.00 0.00 H new ATOM 474 N ASP A 33 -9.793 -11.517 -13.552 1.00 0.00 N ATOM 475 CA ASP A 33 -10.096 -11.692 -14.965 1.00 0.00 C ATOM 476 C ASP A 33 -8.860 -12.134 -15.738 1.00 0.00 C ATOM 477 O ASP A 33 -8.959 -12.837 -16.743 1.00 0.00 O ATOM 478 CB ASP A 33 -10.647 -10.393 -15.557 1.00 0.00 C ATOM 479 CG ASP A 33 -11.605 -10.643 -16.705 1.00 0.00 C ATOM 480 OD1 ASP A 33 -11.130 -10.948 -17.819 1.00 0.00 O ATOM 481 OD2 ASP A 33 -12.830 -10.532 -16.490 1.00 0.00 O ATOM 0 H ASP A 33 -9.765 -10.545 -13.244 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.853 -12.471 -15.053 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -11.158 -9.829 -14.777 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -9.819 -9.776 -15.906 1.00 0.00 H new ATOM 486 N GLY A 34 -7.698 -11.713 -15.260 1.00 0.00 N ATOM 487 CA GLY A 34 -6.452 -12.068 -15.912 1.00 0.00 C ATOM 488 C GLY A 34 -6.110 -11.124 -17.046 1.00 0.00 C ATOM 489 O GLY A 34 -5.440 -11.509 -18.004 1.00 0.00 O ATOM 0 H GLY A 34 -7.595 -11.130 -14.429 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.645 -12.060 -15.179 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -6.522 -13.085 -16.297 1.00 0.00 H new ATOM 493 N ASP A 35 -6.576 -9.883 -16.938 1.00 0.00 N ATOM 494 CA ASP A 35 -6.322 -8.882 -17.957 1.00 0.00 C ATOM 495 C ASP A 35 -5.537 -7.695 -17.398 1.00 0.00 C ATOM 496 O ASP A 35 -5.178 -6.779 -18.137 1.00 0.00 O ATOM 497 CB ASP A 35 -7.640 -8.396 -18.563 1.00 0.00 C ATOM 498 CG ASP A 35 -8.118 -9.284 -19.696 1.00 0.00 C ATOM 499 OD1 ASP A 35 -7.667 -10.446 -19.770 1.00 0.00 O ATOM 500 OD2 ASP A 35 -8.942 -8.816 -20.510 1.00 0.00 O ATOM 0 H ASP A 35 -7.133 -9.551 -16.151 1.00 0.00 H new ATOM 0 HA ASP A 35 -5.717 -9.349 -18.734 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -8.403 -8.361 -17.786 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -7.514 -7.378 -18.931 1.00 0.00 H new ATOM 505 N LYS A 36 -5.271 -7.714 -16.094 1.00 0.00 N ATOM 506 CA LYS A 36 -4.529 -6.635 -15.456 1.00 0.00 C ATOM 507 C LYS A 36 -3.795 -7.126 -14.213 1.00 0.00 C ATOM 508 O LYS A 36 -4.336 -7.896 -13.420 1.00 0.00 O ATOM 509 CB LYS A 36 -5.467 -5.479 -15.110 1.00 0.00 C ATOM 510 CG LYS A 36 -6.236 -5.645 -13.811 1.00 0.00 C ATOM 511 CD LYS A 36 -6.776 -4.312 -13.329 1.00 0.00 C ATOM 512 CE LYS A 36 -5.655 -3.325 -13.042 1.00 0.00 C ATOM 513 NZ LYS A 36 -5.450 -2.374 -14.170 1.00 0.00 N ATOM 0 H LYS A 36 -5.558 -8.462 -15.463 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.779 -6.277 -16.161 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.883 -4.561 -15.054 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.181 -5.354 -15.924 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.059 -6.344 -13.958 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.585 -6.075 -13.050 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.444 -3.895 -14.083 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.368 -4.463 -12.427 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.886 -2.767 -12.134 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.730 -3.871 -12.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.433 -2.282 -14.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -5.935 -2.731 -15.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.839 -1.444 -13.915 1.00 0.00 H new ATOM 527 N VAL A 37 -2.560 -6.673 -14.055 1.00 0.00 N ATOM 528 CA VAL A 37 -1.741 -7.057 -12.916 1.00 0.00 C ATOM 529 C VAL A 37 -0.836 -5.904 -12.488 1.00 0.00 C ATOM 530 O VAL A 37 -0.067 -5.381 -13.293 1.00 0.00 O ATOM 531 CB VAL A 37 -0.882 -8.296 -13.245 1.00 0.00 C ATOM 532 CG1 VAL A 37 -0.036 -8.044 -14.483 1.00 0.00 C ATOM 533 CG2 VAL A 37 -0.007 -8.690 -12.062 1.00 0.00 C ATOM 0 H VAL A 37 -2.101 -6.035 -14.706 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.413 -7.305 -12.095 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.555 -9.128 -13.451 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.563 -8.928 -14.700 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.687 -7.829 -15.331 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.623 -7.194 -14.307 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.586 -9.566 -12.324 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.658 -7.864 -11.810 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.638 -8.923 -11.204 1.00 0.00 H new ATOM 543 N HIS A 38 -0.926 -5.510 -11.220 1.00 0.00 N ATOM 544 CA HIS A 38 -0.104 -4.420 -10.712 1.00 0.00 C ATOM 545 C HIS A 38 0.978 -4.933 -9.765 1.00 0.00 C ATOM 546 O HIS A 38 0.700 -5.338 -8.639 1.00 0.00 O ATOM 547 CB HIS A 38 -0.977 -3.390 -9.993 1.00 0.00 C ATOM 548 CG HIS A 38 -0.357 -2.029 -9.918 1.00 0.00 C ATOM 549 ND1 HIS A 38 -0.184 -1.345 -8.734 1.00 0.00 N ATOM 550 CD2 HIS A 38 0.134 -1.224 -10.890 1.00 0.00 C ATOM 551 CE1 HIS A 38 0.385 -0.178 -8.980 1.00 0.00 C ATOM 552 NE2 HIS A 38 0.589 -0.081 -10.281 1.00 0.00 N ATOM 0 H HIS A 38 -1.554 -5.926 -10.533 1.00 0.00 H new ATOM 0 HA HIS A 38 0.386 -3.948 -11.564 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -1.935 -3.316 -10.507 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -1.183 -3.743 -8.982 1.00 0.00 H new ATOM 0 HD2 HIS A 38 0.162 -1.441 -11.948 1.00 0.00 H new ATOM 0 HE1 HIS A 38 0.640 0.569 -8.243 1.00 0.00 H new ATOM 0 HE2 HIS A 38 1.016 0.714 -10.756 1.00 0.00 H new ATOM 561 N THR A 39 2.214 -4.877 -10.234 1.00 0.00 N ATOM 562 CA THR A 39 3.381 -5.302 -9.454 1.00 0.00 C ATOM 563 C THR A 39 3.980 -4.097 -8.735 1.00 0.00 C ATOM 564 O THR A 39 4.600 -3.240 -9.365 1.00 0.00 O ATOM 565 CB THR A 39 4.438 -5.899 -10.394 1.00 0.00 C ATOM 566 OG1 THR A 39 3.971 -7.093 -10.992 1.00 0.00 O ATOM 567 CG2 THR A 39 5.754 -6.209 -9.710 1.00 0.00 C ATOM 0 H THR A 39 2.444 -4.536 -11.167 1.00 0.00 H new ATOM 0 HA THR A 39 3.072 -6.051 -8.725 1.00 0.00 H new ATOM 0 HB THR A 39 4.613 -5.127 -11.144 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.327 -7.864 -10.504 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.451 -6.628 -10.436 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.171 -5.293 -9.292 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.587 -6.930 -8.910 1.00 0.00 H new ATOM 575 N VAL A 40 3.801 -4.029 -7.424 1.00 0.00 N ATOM 576 CA VAL A 40 4.340 -2.919 -6.650 1.00 0.00 C ATOM 577 C VAL A 40 5.651 -3.315 -5.988 1.00 0.00 C ATOM 578 O VAL A 40 5.665 -4.138 -5.073 1.00 0.00 O ATOM 579 CB VAL A 40 3.352 -2.447 -5.567 1.00 0.00 C ATOM 580 CG1 VAL A 40 3.878 -1.200 -4.871 1.00 0.00 C ATOM 581 CG2 VAL A 40 1.979 -2.193 -6.172 1.00 0.00 C ATOM 0 H VAL A 40 3.291 -4.723 -6.877 1.00 0.00 H new ATOM 0 HA VAL A 40 4.512 -2.098 -7.346 1.00 0.00 H new ATOM 0 HB VAL A 40 3.254 -3.235 -4.821 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.167 -0.881 -4.109 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.837 -1.422 -4.402 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.008 -0.402 -5.603 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.294 -1.860 -5.392 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.056 -1.423 -6.940 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.602 -3.113 -6.618 1.00 0.00 H new ATOM 591 N VAL A 41 6.755 -2.735 -6.452 1.00 0.00 N ATOM 592 CA VAL A 41 8.052 -3.059 -5.882 1.00 0.00 C ATOM 593 C VAL A 41 8.199 -2.474 -4.490 1.00 0.00 C ATOM 594 O VAL A 41 8.524 -1.299 -4.324 1.00 0.00 O ATOM 595 CB VAL A 41 9.231 -2.590 -6.753 1.00 0.00 C ATOM 596 CG1 VAL A 41 10.541 -3.168 -6.219 1.00 0.00 C ATOM 597 CG2 VAL A 41 9.016 -2.989 -8.206 1.00 0.00 C ATOM 0 H VAL A 41 6.775 -2.050 -7.208 1.00 0.00 H new ATOM 0 HA VAL A 41 8.087 -4.147 -5.834 1.00 0.00 H new ATOM 0 HB VAL A 41 9.289 -1.502 -6.708 1.00 0.00 H new ATOM 0 HG11 VAL A 41 11.369 -2.830 -6.842 1.00 0.00 H new ATOM 0 HG12 VAL A 41 10.697 -2.830 -5.194 1.00 0.00 H new ATOM 0 HG13 VAL A 41 10.493 -4.257 -6.239 1.00 0.00 H new ATOM 0 HG21 VAL A 41 9.860 -2.648 -8.806 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.934 -4.074 -8.277 1.00 0.00 H new ATOM 0 HG23 VAL A 41 8.099 -2.531 -8.577 1.00 0.00 H new ATOM 607 N LEU A 42 7.967 -3.314 -3.491 1.00 0.00 N ATOM 608 CA LEU A 42 8.077 -2.914 -2.094 1.00 0.00 C ATOM 609 C LEU A 42 9.373 -2.150 -1.839 1.00 0.00 C ATOM 610 O LEU A 42 9.465 -1.359 -0.900 1.00 0.00 O ATOM 611 CB LEU A 42 8.032 -4.152 -1.210 1.00 0.00 C ATOM 612 CG LEU A 42 6.700 -4.911 -1.227 1.00 0.00 C ATOM 613 CD1 LEU A 42 6.865 -6.319 -0.668 1.00 0.00 C ATOM 614 CD2 LEU A 42 5.644 -4.147 -0.445 1.00 0.00 C ATOM 0 H LEU A 42 7.698 -4.289 -3.625 1.00 0.00 H new ATOM 0 HA LEU A 42 7.242 -2.255 -1.858 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.825 -4.832 -1.522 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.251 -3.856 -0.184 1.00 0.00 H new ATOM 0 HG LEU A 42 6.372 -4.997 -2.263 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.905 -6.835 -0.692 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.587 -6.868 -1.272 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.221 -6.263 0.361 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.705 -4.699 -0.467 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.971 -4.028 0.588 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.498 -3.165 -0.895 1.00 0.00 H new ATOM 626 N SER A 43 10.369 -2.387 -2.686 1.00 0.00 N ATOM 627 CA SER A 43 11.655 -1.715 -2.554 1.00 0.00 C ATOM 628 C SER A 43 11.467 -0.222 -2.720 1.00 0.00 C ATOM 629 O SER A 43 11.863 0.573 -1.867 1.00 0.00 O ATOM 630 CB SER A 43 12.655 -2.249 -3.584 1.00 0.00 C ATOM 631 OG SER A 43 12.738 -1.399 -4.716 1.00 0.00 O ATOM 0 H SER A 43 10.310 -3.038 -3.469 1.00 0.00 H new ATOM 0 HA SER A 43 12.058 -1.916 -1.561 1.00 0.00 H new ATOM 0 HB2 SER A 43 13.639 -2.341 -3.124 1.00 0.00 H new ATOM 0 HB3 SER A 43 12.356 -3.249 -3.899 1.00 0.00 H new ATOM 0 HG SER A 43 13.385 -1.766 -5.354 1.00 0.00 H new ATOM 637 N THR A 44 10.826 0.143 -3.814 1.00 0.00 N ATOM 638 CA THR A 44 10.536 1.531 -4.097 1.00 0.00 C ATOM 639 C THR A 44 9.551 2.065 -3.065 1.00 0.00 C ATOM 640 O THR A 44 9.438 3.275 -2.866 1.00 0.00 O ATOM 641 CB THR A 44 9.956 1.670 -5.503 1.00 0.00 C ATOM 642 OG1 THR A 44 9.230 0.510 -5.863 1.00 0.00 O ATOM 643 CG2 THR A 44 11.008 1.902 -6.565 1.00 0.00 C ATOM 0 H THR A 44 10.495 -0.510 -4.525 1.00 0.00 H new ATOM 0 HA THR A 44 11.458 2.110 -4.044 1.00 0.00 H new ATOM 0 HB THR A 44 9.307 2.545 -5.462 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.683 0.218 -5.104 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.528 1.992 -7.539 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.553 2.820 -6.343 1.00 0.00 H new ATOM 0 HG23 THR A 44 11.703 1.062 -6.579 1.00 0.00 H new ATOM 651 N ILE A 45 8.845 1.148 -2.399 1.00 0.00 N ATOM 652 CA ILE A 45 7.879 1.531 -1.376 1.00 0.00 C ATOM 653 C ILE A 45 8.593 1.931 -0.088 1.00 0.00 C ATOM 654 O ILE A 45 9.526 1.257 0.349 1.00 0.00 O ATOM 655 CB ILE A 45 6.886 0.391 -1.075 1.00 0.00 C ATOM 656 CG1 ILE A 45 6.205 -0.075 -2.364 1.00 0.00 C ATOM 657 CG2 ILE A 45 5.847 0.842 -0.058 1.00 0.00 C ATOM 658 CD1 ILE A 45 5.323 0.979 -2.998 1.00 0.00 C ATOM 0 H ILE A 45 8.926 0.143 -2.551 1.00 0.00 H new ATOM 0 HA ILE A 45 7.320 2.382 -1.764 1.00 0.00 H new ATOM 0 HB ILE A 45 7.440 -0.447 -0.652 1.00 0.00 H new ATOM 0 HG12 ILE A 45 6.969 -0.376 -3.080 1.00 0.00 H new ATOM 0 HG13 ILE A 45 5.604 -0.958 -2.149 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.155 0.024 0.142 1.00 0.00 H new ATOM 0 HG22 ILE A 45 6.345 1.130 0.868 1.00 0.00 H new ATOM 0 HG23 ILE A 45 5.296 1.695 -0.454 1.00 0.00 H new ATOM 0 HD11 ILE A 45 4.874 0.579 -3.907 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.536 1.264 -2.299 1.00 0.00 H new ATOM 0 HD13 ILE A 45 5.923 1.855 -3.245 1.00 0.00 H new ATOM 670 N ASP A 46 8.159 3.035 0.509 1.00 0.00 N ATOM 671 CA ASP A 46 8.769 3.527 1.740 1.00 0.00 C ATOM 672 C ASP A 46 7.744 3.667 2.865 1.00 0.00 C ATOM 673 O ASP A 46 8.081 4.105 3.965 1.00 0.00 O ATOM 674 CB ASP A 46 9.438 4.877 1.487 1.00 0.00 C ATOM 675 CG ASP A 46 10.531 5.179 2.492 1.00 0.00 C ATOM 676 OD1 ASP A 46 10.218 5.753 3.556 1.00 0.00 O ATOM 677 OD2 ASP A 46 11.702 4.843 2.215 1.00 0.00 O ATOM 0 H ASP A 46 7.388 3.606 0.162 1.00 0.00 H new ATOM 0 HA ASP A 46 9.515 2.796 2.053 1.00 0.00 H new ATOM 0 HB2 ASP A 46 9.860 4.887 0.482 1.00 0.00 H new ATOM 0 HB3 ASP A 46 8.686 5.665 1.525 1.00 0.00 H new ATOM 682 N LYS A 47 6.496 3.301 2.590 1.00 0.00 N ATOM 683 CA LYS A 47 5.442 3.399 3.593 1.00 0.00 C ATOM 684 C LYS A 47 4.238 2.539 3.219 1.00 0.00 C ATOM 685 O LYS A 47 3.973 2.297 2.041 1.00 0.00 O ATOM 686 CB LYS A 47 5.010 4.858 3.766 1.00 0.00 C ATOM 687 CG LYS A 47 5.464 5.474 5.080 1.00 0.00 C ATOM 688 CD LYS A 47 6.551 6.515 4.865 1.00 0.00 C ATOM 689 CE LYS A 47 6.470 7.626 5.899 1.00 0.00 C ATOM 690 NZ LYS A 47 7.487 8.687 5.656 1.00 0.00 N ATOM 0 H LYS A 47 6.191 2.936 1.687 1.00 0.00 H new ATOM 0 HA LYS A 47 5.843 3.028 4.537 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.410 5.447 2.941 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.923 4.917 3.703 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.612 5.935 5.580 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.835 4.691 5.740 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.529 6.037 4.918 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.457 6.939 3.865 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.474 8.067 5.880 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.614 7.206 6.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.398 9.426 6.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.439 8.271 5.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.334 9.106 4.716 1.00 0.00 H new ATOM 704 N LEU A 48 3.513 2.084 4.236 1.00 0.00 N ATOM 705 CA LEU A 48 2.331 1.254 4.033 1.00 0.00 C ATOM 706 C LEU A 48 1.372 1.406 5.208 1.00 0.00 C ATOM 707 O LEU A 48 1.782 1.802 6.298 1.00 0.00 O ATOM 708 CB LEU A 48 2.732 -0.216 3.862 1.00 0.00 C ATOM 709 CG LEU A 48 2.995 -0.984 5.163 1.00 0.00 C ATOM 710 CD1 LEU A 48 2.909 -2.482 4.923 1.00 0.00 C ATOM 711 CD2 LEU A 48 4.352 -0.610 5.742 1.00 0.00 C ATOM 0 H LEU A 48 3.725 2.278 5.215 1.00 0.00 H new ATOM 0 HA LEU A 48 1.827 1.584 3.124 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.943 -0.728 3.311 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.630 -0.260 3.246 1.00 0.00 H new ATOM 0 HG LEU A 48 2.228 -0.707 5.886 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.098 -3.012 5.857 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.914 -2.735 4.557 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.653 -2.775 4.182 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.520 -1.166 6.665 1.00 0.00 H new ATOM 0 HD22 LEU A 48 5.134 -0.855 5.024 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.375 0.459 5.953 1.00 0.00 H new ATOM 723 N GLN A 49 0.099 1.091 4.988 1.00 0.00 N ATOM 724 CA GLN A 49 -0.897 1.200 6.050 1.00 0.00 C ATOM 725 C GLN A 49 -1.980 0.132 5.918 1.00 0.00 C ATOM 726 O GLN A 49 -2.174 -0.449 4.852 1.00 0.00 O ATOM 727 CB GLN A 49 -1.537 2.591 6.051 1.00 0.00 C ATOM 728 CG GLN A 49 -0.558 3.719 5.764 1.00 0.00 C ATOM 729 CD GLN A 49 -1.015 5.047 6.335 1.00 0.00 C ATOM 730 OE1 GLN A 49 -1.496 5.917 5.608 1.00 0.00 O ATOM 731 NE2 GLN A 49 -0.865 5.210 7.645 1.00 0.00 N ATOM 0 H GLN A 49 -0.265 0.762 4.094 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.379 1.044 6.996 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.332 2.615 5.306 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.003 2.765 7.021 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.416 3.464 6.181 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.428 3.817 4.686 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.462 4.462 8.209 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.153 6.083 8.087 1.00 0.00 H new ATOM 740 N ALA A 50 -2.681 -0.111 7.020 1.00 0.00 N ATOM 741 CA ALA A 50 -3.756 -1.097 7.060 1.00 0.00 C ATOM 742 C ALA A 50 -4.846 -0.660 8.028 1.00 0.00 C ATOM 743 O ALA A 50 -4.644 0.240 8.840 1.00 0.00 O ATOM 744 CB ALA A 50 -3.222 -2.460 7.458 1.00 0.00 C ATOM 0 H ALA A 50 -2.522 0.367 7.907 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.184 -1.171 6.060 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.041 -3.179 7.481 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.475 -2.784 6.733 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.766 -2.398 8.446 1.00 0.00 H new ATOM 750 N THR A 51 -6.007 -1.284 7.932 1.00 0.00 N ATOM 751 CA THR A 51 -7.119 -0.930 8.799 1.00 0.00 C ATOM 752 C THR A 51 -7.113 -1.746 10.093 1.00 0.00 C ATOM 753 O THR A 51 -7.183 -2.974 10.069 1.00 0.00 O ATOM 754 CB THR A 51 -8.428 -1.116 8.055 1.00 0.00 C ATOM 755 OG1 THR A 51 -8.573 -2.455 7.626 1.00 0.00 O ATOM 756 CG2 THR A 51 -8.530 -0.226 6.841 1.00 0.00 C ATOM 0 H THR A 51 -6.204 -2.033 7.268 1.00 0.00 H new ATOM 0 HA THR A 51 -7.010 0.118 9.080 1.00 0.00 H new ATOM 0 HB THR A 51 -9.217 -0.849 8.758 1.00 0.00 H new ATOM 0 HG1 THR A 51 -9.317 -2.874 8.107 1.00 0.00 H new ATOM 0 HG21 THR A 51 -9.485 -0.397 6.344 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.463 0.818 7.148 1.00 0.00 H new ATOM 0 HG23 THR A 51 -7.716 -0.455 6.153 1.00 0.00 H new ATOM 764 N PRO A 52 -7.027 -1.055 11.243 1.00 0.00 N ATOM 765 CA PRO A 52 -7.005 -1.670 12.563 1.00 0.00 C ATOM 766 C PRO A 52 -8.392 -1.743 13.185 1.00 0.00 C ATOM 767 O PRO A 52 -9.330 -1.106 12.705 1.00 0.00 O ATOM 768 CB PRO A 52 -6.130 -0.700 13.342 1.00 0.00 C ATOM 769 CG PRO A 52 -6.495 0.638 12.788 1.00 0.00 C ATOM 770 CD PRO A 52 -6.935 0.412 11.358 1.00 0.00 C ATOM 0 HA PRO A 52 -6.648 -2.700 12.548 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -6.327 -0.756 14.413 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -5.071 -0.915 13.201 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -7.295 1.093 13.372 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -5.644 1.318 12.828 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -7.893 0.890 11.155 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -6.217 0.824 10.649 1.00 0.00 H new ATOM 778 N ALA A 53 -8.517 -2.515 14.260 1.00 0.00 N ATOM 779 CA ALA A 53 -9.791 -2.663 14.961 1.00 0.00 C ATOM 780 C ALA A 53 -10.418 -1.307 15.321 1.00 0.00 C ATOM 781 O ALA A 53 -11.532 -1.257 15.844 1.00 0.00 O ATOM 782 CB ALA A 53 -9.601 -3.501 16.216 1.00 0.00 C ATOM 0 H ALA A 53 -7.750 -3.050 14.667 1.00 0.00 H new ATOM 0 HA ALA A 53 -10.479 -3.169 14.283 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -10.556 -3.606 16.732 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -9.227 -4.487 15.942 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -8.884 -3.011 16.875 1.00 0.00 H new ATOM 788 N SER A 54 -9.711 -0.210 15.036 1.00 0.00 N ATOM 789 CA SER A 54 -10.217 1.127 15.328 1.00 0.00 C ATOM 790 C SER A 54 -11.504 1.385 14.574 1.00 0.00 C ATOM 791 O SER A 54 -12.378 2.124 15.029 1.00 0.00 O ATOM 792 CB SER A 54 -9.188 2.156 14.889 1.00 0.00 C ATOM 793 OG SER A 54 -7.949 1.962 15.549 1.00 0.00 O ATOM 0 H SER A 54 -8.787 -0.225 14.604 1.00 0.00 H new ATOM 0 HA SER A 54 -10.405 1.202 16.399 1.00 0.00 H new ATOM 0 HB2 SER A 54 -9.042 2.090 13.811 1.00 0.00 H new ATOM 0 HB3 SER A 54 -9.561 3.158 15.099 1.00 0.00 H new ATOM 0 HG SER A 54 -7.307 2.637 15.245 1.00 0.00 H new ATOM 799 N SER A 55 -11.600 0.771 13.416 1.00 0.00 N ATOM 800 CA SER A 55 -12.762 0.914 12.565 1.00 0.00 C ATOM 801 C SER A 55 -13.182 -0.435 11.984 1.00 0.00 C ATOM 802 O SER A 55 -12.503 -1.443 12.182 1.00 0.00 O ATOM 803 CB SER A 55 -12.436 1.901 11.459 1.00 0.00 C ATOM 804 OG SER A 55 -13.525 2.770 11.202 1.00 0.00 O ATOM 0 H SER A 55 -10.877 0.159 13.037 1.00 0.00 H new ATOM 0 HA SER A 55 -13.600 1.288 13.153 1.00 0.00 H new ATOM 0 HB2 SER A 55 -11.560 2.486 11.739 1.00 0.00 H new ATOM 0 HB3 SER A 55 -12.180 1.358 10.549 1.00 0.00 H new ATOM 0 HG SER A 55 -14.351 2.369 11.544 1.00 0.00 H new ATOM 810 N GLU A 56 -14.310 -0.453 11.280 1.00 0.00 N ATOM 811 CA GLU A 56 -14.821 -1.684 10.687 1.00 0.00 C ATOM 812 C GLU A 56 -14.424 -1.806 9.219 1.00 0.00 C ATOM 813 O GLU A 56 -15.121 -2.444 8.431 1.00 0.00 O ATOM 814 CB GLU A 56 -16.344 -1.740 10.818 1.00 0.00 C ATOM 815 CG GLU A 56 -16.850 -1.372 12.204 1.00 0.00 C ATOM 816 CD GLU A 56 -18.321 -1.006 12.209 1.00 0.00 C ATOM 817 OE1 GLU A 56 -18.643 0.162 11.906 1.00 0.00 O ATOM 818 OE2 GLU A 56 -19.151 -1.887 12.517 1.00 0.00 O ATOM 0 H GLU A 56 -14.887 0.370 11.107 1.00 0.00 H new ATOM 0 HA GLU A 56 -14.378 -2.520 11.228 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -16.788 -1.064 10.087 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -16.685 -2.745 10.571 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -16.686 -2.210 12.881 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -16.269 -0.533 12.588 1.00 0.00 H new ATOM 825 N LYS A 57 -13.300 -1.198 8.856 1.00 0.00 N ATOM 826 CA LYS A 57 -12.819 -1.252 7.483 1.00 0.00 C ATOM 827 C LYS A 57 -11.697 -2.274 7.332 1.00 0.00 C ATOM 828 O LYS A 57 -10.956 -2.547 8.277 1.00 0.00 O ATOM 829 CB LYS A 57 -12.336 0.124 6.992 1.00 0.00 C ATOM 830 CG LYS A 57 -12.214 1.179 8.079 1.00 0.00 C ATOM 831 CD LYS A 57 -13.577 1.708 8.500 1.00 0.00 C ATOM 832 CE LYS A 57 -13.608 3.229 8.503 1.00 0.00 C ATOM 833 NZ LYS A 57 -14.796 3.763 9.227 1.00 0.00 N ATOM 0 H LYS A 57 -12.708 -0.664 9.492 1.00 0.00 H new ATOM 0 HA LYS A 57 -13.664 -1.559 6.866 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.365 0.003 6.512 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -13.026 0.485 6.230 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.705 0.754 8.944 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.598 2.003 7.720 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -14.341 1.329 7.821 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -13.821 1.336 9.495 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -12.699 3.609 8.969 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -13.616 3.593 7.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -14.842 4.795 9.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -15.660 3.329 8.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -14.716 3.538 10.239 1.00 0.00 H new ATOM 847 N MET A 58 -11.577 -2.827 6.130 1.00 0.00 N ATOM 848 CA MET A 58 -10.546 -3.814 5.830 1.00 0.00 C ATOM 849 C MET A 58 -9.836 -3.448 4.533 1.00 0.00 C ATOM 850 O MET A 58 -10.223 -3.900 3.455 1.00 0.00 O ATOM 851 CB MET A 58 -11.157 -5.211 5.716 1.00 0.00 C ATOM 852 CG MET A 58 -12.499 -5.232 5.005 1.00 0.00 C ATOM 853 SD MET A 58 -13.889 -5.288 6.151 1.00 0.00 S ATOM 854 CE MET A 58 -15.098 -6.160 5.162 1.00 0.00 C ATOM 0 H MET A 58 -12.186 -2.606 5.342 1.00 0.00 H new ATOM 0 HA MET A 58 -9.822 -3.818 6.645 1.00 0.00 H new ATOM 0 HB2 MET A 58 -10.462 -5.860 5.182 1.00 0.00 H new ATOM 0 HB3 MET A 58 -11.278 -5.628 6.716 1.00 0.00 H new ATOM 0 HG2 MET A 58 -12.587 -4.346 4.376 1.00 0.00 H new ATOM 0 HG3 MET A 58 -12.542 -6.098 4.344 1.00 0.00 H new ATOM 0 HE1 MET A 58 -16.069 -6.121 5.656 1.00 0.00 H new ATOM 0 HE2 MET A 58 -15.171 -5.692 4.181 1.00 0.00 H new ATOM 0 HE3 MET A 58 -14.791 -7.200 5.046 1.00 0.00 H new ATOM 864 N MET A 59 -8.807 -2.613 4.638 1.00 0.00 N ATOM 865 CA MET A 59 -8.064 -2.177 3.463 1.00 0.00 C ATOM 866 C MET A 59 -6.601 -1.888 3.794 1.00 0.00 C ATOM 867 O MET A 59 -6.262 -1.548 4.927 1.00 0.00 O ATOM 868 CB MET A 59 -8.730 -0.930 2.861 1.00 0.00 C ATOM 869 CG MET A 59 -8.529 0.337 3.677 1.00 0.00 C ATOM 870 SD MET A 59 -10.060 0.964 4.398 1.00 0.00 S ATOM 871 CE MET A 59 -9.427 2.253 5.480 1.00 0.00 C ATOM 0 H MET A 59 -8.471 -2.227 5.520 1.00 0.00 H new ATOM 0 HA MET A 59 -8.081 -2.987 2.734 1.00 0.00 H new ATOM 0 HB2 MET A 59 -8.336 -0.769 1.858 1.00 0.00 H new ATOM 0 HB3 MET A 59 -9.799 -1.117 2.757 1.00 0.00 H new ATOM 0 HG2 MET A 59 -7.813 0.139 4.475 1.00 0.00 H new ATOM 0 HG3 MET A 59 -8.092 1.107 3.041 1.00 0.00 H new ATOM 0 HE1 MET A 59 -9.693 2.025 6.512 1.00 0.00 H new ATOM 0 HE2 MET A 59 -8.342 2.305 5.388 1.00 0.00 H new ATOM 0 HE3 MET A 59 -9.862 3.212 5.197 1.00 0.00 H new ATOM 881 N LEU A 60 -5.742 -2.010 2.785 1.00 0.00 N ATOM 882 CA LEU A 60 -4.316 -1.747 2.947 1.00 0.00 C ATOM 883 C LEU A 60 -3.925 -0.520 2.128 1.00 0.00 C ATOM 884 O LEU A 60 -4.675 -0.088 1.254 1.00 0.00 O ATOM 885 CB LEU A 60 -3.483 -2.957 2.502 1.00 0.00 C ATOM 886 CG LEU A 60 -3.664 -4.230 3.339 1.00 0.00 C ATOM 887 CD1 LEU A 60 -2.653 -5.293 2.923 1.00 0.00 C ATOM 888 CD2 LEU A 60 -3.527 -3.919 4.822 1.00 0.00 C ATOM 0 H LEU A 60 -6.011 -2.291 1.842 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.115 -1.562 4.002 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -3.733 -3.186 1.466 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.430 -2.677 2.522 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.667 -4.618 3.159 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.797 -6.188 3.528 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.796 -5.539 1.871 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.643 -4.913 3.073 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.658 -4.834 5.399 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.537 -3.506 5.017 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.287 -3.194 5.113 1.00 0.00 H new ATOM 900 N ARG A 61 -2.759 0.046 2.414 1.00 0.00 N ATOM 901 CA ARG A 61 -2.297 1.227 1.694 1.00 0.00 C ATOM 902 C ARG A 61 -0.781 1.219 1.535 1.00 0.00 C ATOM 903 O ARG A 61 -0.059 0.723 2.399 1.00 0.00 O ATOM 904 CB ARG A 61 -2.738 2.498 2.422 1.00 0.00 C ATOM 905 CG ARG A 61 -2.600 3.759 1.584 1.00 0.00 C ATOM 906 CD ARG A 61 -2.205 4.956 2.435 1.00 0.00 C ATOM 907 NE ARG A 61 -3.110 6.087 2.243 1.00 0.00 N ATOM 908 CZ ARG A 61 -3.237 6.748 1.094 1.00 0.00 C ATOM 909 NH1 ARG A 61 -2.519 6.395 0.035 1.00 0.00 N ATOM 910 NH2 ARG A 61 -4.084 7.764 1.005 1.00 0.00 N ATOM 0 H ARG A 61 -2.120 -0.290 3.134 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.744 1.209 0.700 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.778 2.388 2.729 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.147 2.610 3.331 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.851 3.601 0.808 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.544 3.966 1.079 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -2.202 4.668 3.486 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.188 5.259 2.185 1.00 0.00 H new ATOM 0 HE ARG A 61 -3.678 6.388 3.035 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -1.866 5.614 0.099 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -2.620 6.905 -0.843 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -4.638 8.039 1.816 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.182 8.271 0.125 1.00 0.00 H new ATOM 924 N LEU A 62 -0.308 1.770 0.422 1.00 0.00 N ATOM 925 CA LEU A 62 1.123 1.827 0.144 1.00 0.00 C ATOM 926 C LEU A 62 1.536 3.227 -0.300 1.00 0.00 C ATOM 927 O LEU A 62 0.773 3.928 -0.965 1.00 0.00 O ATOM 928 CB LEU A 62 1.497 0.808 -0.935 1.00 0.00 C ATOM 929 CG LEU A 62 0.645 -0.462 -0.954 1.00 0.00 C ATOM 930 CD1 LEU A 62 0.789 -1.180 -2.286 1.00 0.00 C ATOM 931 CD2 LEU A 62 1.032 -1.379 0.197 1.00 0.00 C ATOM 0 H LEU A 62 -0.895 2.184 -0.303 1.00 0.00 H new ATOM 0 HA LEU A 62 1.655 1.584 1.064 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.423 1.291 -1.909 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.541 0.524 -0.798 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.400 -0.180 -0.830 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.176 -2.081 -2.282 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.462 -0.522 -3.091 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.833 -1.452 -2.442 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.416 -2.278 0.169 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.082 -1.656 0.105 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.875 -0.861 1.143 1.00 0.00 H new ATOM 943 N ILE A 63 2.747 3.627 0.071 1.00 0.00 N ATOM 944 CA ILE A 63 3.261 4.942 -0.290 1.00 0.00 C ATOM 945 C ILE A 63 4.666 4.834 -0.881 1.00 0.00 C ATOM 946 O ILE A 63 5.639 4.619 -0.159 1.00 0.00 O ATOM 947 CB ILE A 63 3.273 5.889 0.931 1.00 0.00 C ATOM 948 CG1 ILE A 63 1.864 6.412 1.198 1.00 0.00 C ATOM 949 CG2 ILE A 63 4.236 7.050 0.732 1.00 0.00 C ATOM 950 CD1 ILE A 63 1.289 5.913 2.497 1.00 0.00 C ATOM 0 H ILE A 63 3.391 3.059 0.622 1.00 0.00 H new ATOM 0 HA ILE A 63 2.595 5.360 -1.045 1.00 0.00 H new ATOM 0 HB ILE A 63 3.618 5.319 1.794 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.883 7.502 1.210 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.210 6.113 0.379 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.216 7.694 1.611 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.245 6.665 0.587 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.937 7.624 -0.145 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.286 6.319 2.631 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.240 4.824 2.479 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.924 6.234 3.323 1.00 0.00 H new ATOM 962 N GLY A 64 4.761 4.985 -2.198 1.00 0.00 N ATOM 963 CA GLY A 64 6.048 4.901 -2.864 1.00 0.00 C ATOM 964 C GLY A 64 7.025 5.954 -2.376 1.00 0.00 C ATOM 965 O GLY A 64 6.788 6.608 -1.361 1.00 0.00 O ATOM 0 H GLY A 64 3.970 5.164 -2.816 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.474 3.911 -2.700 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.905 5.013 -3.939 1.00 0.00 H new ATOM 969 N LYS A 65 8.127 6.116 -3.102 1.00 0.00 N ATOM 970 CA LYS A 65 9.145 7.095 -2.738 1.00 0.00 C ATOM 971 C LYS A 65 8.874 8.437 -3.412 1.00 0.00 C ATOM 972 O LYS A 65 7.843 8.622 -4.058 1.00 0.00 O ATOM 973 CB LYS A 65 10.534 6.587 -3.128 1.00 0.00 C ATOM 974 CG LYS A 65 11.619 6.956 -2.130 1.00 0.00 C ATOM 975 CD LYS A 65 12.024 5.765 -1.277 1.00 0.00 C ATOM 976 CE LYS A 65 12.654 6.206 0.034 1.00 0.00 C ATOM 977 NZ LYS A 65 13.668 7.277 -0.171 1.00 0.00 N ATOM 0 H LYS A 65 8.338 5.582 -3.945 1.00 0.00 H new ATOM 0 HA LYS A 65 9.108 7.236 -1.658 1.00 0.00 H new ATOM 0 HB2 LYS A 65 10.500 5.502 -3.230 1.00 0.00 H new ATOM 0 HB3 LYS A 65 10.798 6.991 -4.105 1.00 0.00 H new ATOM 0 HG2 LYS A 65 12.491 7.335 -2.663 1.00 0.00 H new ATOM 0 HG3 LYS A 65 11.264 7.761 -1.487 1.00 0.00 H new ATOM 0 HD2 LYS A 65 11.149 5.149 -1.072 1.00 0.00 H new ATOM 0 HD3 LYS A 65 12.729 5.144 -1.829 1.00 0.00 H new ATOM 0 HE2 LYS A 65 11.876 6.566 0.708 1.00 0.00 H new ATOM 0 HE3 LYS A 65 13.123 5.349 0.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 14.238 7.385 0.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 14.288 7.021 -0.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 13.187 8.175 -0.383 1.00 0.00 H new ATOM 991 N VAL A 66 9.808 9.370 -3.256 1.00 0.00 N ATOM 992 CA VAL A 66 9.671 10.696 -3.849 1.00 0.00 C ATOM 993 C VAL A 66 10.690 10.912 -4.962 1.00 0.00 C ATOM 994 O VAL A 66 11.882 10.660 -4.784 1.00 0.00 O ATOM 995 CB VAL A 66 9.838 11.809 -2.796 1.00 0.00 C ATOM 996 CG1 VAL A 66 8.550 11.999 -2.013 1.00 0.00 C ATOM 997 CG2 VAL A 66 10.999 11.497 -1.863 1.00 0.00 C ATOM 0 H VAL A 66 10.668 9.233 -2.724 1.00 0.00 H new ATOM 0 HA VAL A 66 8.665 10.748 -4.265 1.00 0.00 H new ATOM 0 HB VAL A 66 10.063 12.742 -3.314 1.00 0.00 H new ATOM 0 HG11 VAL A 66 8.686 12.789 -1.274 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.747 12.276 -2.696 1.00 0.00 H new ATOM 0 HG13 VAL A 66 8.292 11.069 -1.507 1.00 0.00 H new ATOM 0 HG21 VAL A 66 11.099 12.295 -1.128 1.00 0.00 H new ATOM 0 HG22 VAL A 66 10.811 10.553 -1.351 1.00 0.00 H new ATOM 0 HG23 VAL A 66 11.920 11.419 -2.441 1.00 0.00 H new ATOM 1007 N ASP A 67 10.211 11.380 -6.109 1.00 0.00 N ATOM 1008 CA ASP A 67 11.077 11.631 -7.254 1.00 0.00 C ATOM 1009 C ASP A 67 10.853 13.035 -7.808 1.00 0.00 C ATOM 1010 O ASP A 67 9.966 13.254 -8.632 1.00 0.00 O ATOM 1011 CB ASP A 67 10.821 10.592 -8.345 1.00 0.00 C ATOM 1012 CG ASP A 67 11.524 9.277 -8.069 1.00 0.00 C ATOM 1013 OD1 ASP A 67 11.586 8.874 -6.888 1.00 0.00 O ATOM 1014 OD2 ASP A 67 12.012 8.651 -9.033 1.00 0.00 O ATOM 0 H ASP A 67 9.227 11.593 -6.270 1.00 0.00 H new ATOM 0 HA ASP A 67 12.112 11.554 -6.922 1.00 0.00 H new ATOM 0 HB2 ASP A 67 9.749 10.416 -8.431 1.00 0.00 H new ATOM 0 HB3 ASP A 67 11.157 10.986 -9.304 1.00 0.00 H new ATOM 1019 N GLU A 68 11.659 13.983 -7.346 1.00 0.00 N ATOM 1020 CA GLU A 68 11.549 15.366 -7.789 1.00 0.00 C ATOM 1021 C GLU A 68 12.042 15.532 -9.225 1.00 0.00 C ATOM 1022 O GLU A 68 11.694 16.496 -9.900 1.00 0.00 O ATOM 1023 CB GLU A 68 12.344 16.284 -6.858 1.00 0.00 C ATOM 1024 CG GLU A 68 13.843 16.033 -6.891 1.00 0.00 C ATOM 1025 CD GLU A 68 14.610 16.964 -5.972 1.00 0.00 C ATOM 1026 OE1 GLU A 68 14.098 18.067 -5.683 1.00 0.00 O ATOM 1027 OE2 GLU A 68 15.721 16.592 -5.542 1.00 0.00 O ATOM 0 H GLU A 68 12.398 13.818 -6.663 1.00 0.00 H new ATOM 0 HA GLU A 68 10.495 15.643 -7.757 1.00 0.00 H new ATOM 0 HB2 GLU A 68 12.152 17.321 -7.133 1.00 0.00 H new ATOM 0 HB3 GLU A 68 11.984 16.152 -5.837 1.00 0.00 H new ATOM 0 HG2 GLU A 68 14.041 15.000 -6.604 1.00 0.00 H new ATOM 0 HG3 GLU A 68 14.206 16.155 -7.912 1.00 0.00 H new ATOM 1034 N SER A 69 12.860 14.591 -9.684 1.00 0.00 N ATOM 1035 CA SER A 69 13.408 14.643 -11.040 1.00 0.00 C ATOM 1036 C SER A 69 12.314 14.857 -12.084 1.00 0.00 C ATOM 1037 O SER A 69 12.570 15.388 -13.165 1.00 0.00 O ATOM 1038 CB SER A 69 14.176 13.356 -11.349 1.00 0.00 C ATOM 1039 OG SER A 69 15.381 13.290 -10.606 1.00 0.00 O ATOM 0 H SER A 69 13.160 13.782 -9.139 1.00 0.00 H new ATOM 0 HA SER A 69 14.088 15.493 -11.087 1.00 0.00 H new ATOM 0 HB2 SER A 69 13.553 12.492 -11.115 1.00 0.00 H new ATOM 0 HB3 SER A 69 14.399 13.309 -12.415 1.00 0.00 H new ATOM 0 HG SER A 69 15.852 12.458 -10.820 1.00 0.00 H new ATOM 1045 N LYS A 70 11.102 14.436 -11.756 1.00 0.00 N ATOM 1046 CA LYS A 70 9.969 14.569 -12.659 1.00 0.00 C ATOM 1047 C LYS A 70 9.113 15.787 -12.314 1.00 0.00 C ATOM 1048 O LYS A 70 7.989 15.918 -12.798 1.00 0.00 O ATOM 1049 CB LYS A 70 9.107 13.315 -12.591 1.00 0.00 C ATOM 1050 CG LYS A 70 8.564 13.058 -11.198 1.00 0.00 C ATOM 1051 CD LYS A 70 9.008 11.706 -10.664 1.00 0.00 C ATOM 1052 CE LYS A 70 8.325 10.565 -11.399 1.00 0.00 C ATOM 1053 NZ LYS A 70 8.520 9.261 -10.705 1.00 0.00 N ATOM 0 H LYS A 70 10.877 13.996 -10.864 1.00 0.00 H new ATOM 0 HA LYS A 70 10.362 14.702 -13.667 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.276 13.411 -13.289 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.696 12.456 -12.912 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.903 13.845 -10.524 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.475 13.102 -11.218 1.00 0.00 H new ATOM 0 HD2 LYS A 70 10.089 11.611 -10.766 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.782 11.642 -9.600 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.259 10.775 -11.484 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.719 10.499 -12.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.039 8.509 -11.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.536 9.048 -10.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.121 9.315 -9.746 1.00 0.00 H new ATOM 1067 N LYS A 71 9.640 16.663 -11.464 1.00 0.00 N ATOM 1068 CA LYS A 71 8.916 17.862 -11.042 1.00 0.00 C ATOM 1069 C LYS A 71 8.394 18.665 -12.234 1.00 0.00 C ATOM 1070 O LYS A 71 8.382 18.192 -13.370 1.00 0.00 O ATOM 1071 CB LYS A 71 9.816 18.751 -10.172 1.00 0.00 C ATOM 1072 CG LYS A 71 10.788 19.613 -10.967 1.00 0.00 C ATOM 1073 CD LYS A 71 12.235 19.250 -10.677 1.00 0.00 C ATOM 1074 CE LYS A 71 12.582 19.456 -9.211 1.00 0.00 C ATOM 1075 NZ LYS A 71 13.654 18.528 -8.758 1.00 0.00 N ATOM 0 H LYS A 71 10.568 16.566 -11.052 1.00 0.00 H new ATOM 0 HA LYS A 71 8.056 17.531 -10.459 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.188 19.399 -9.561 1.00 0.00 H new ATOM 0 HB3 LYS A 71 10.382 18.119 -9.488 1.00 0.00 H new ATOM 0 HG2 LYS A 71 10.591 19.495 -12.032 1.00 0.00 H new ATOM 0 HG3 LYS A 71 10.622 20.663 -10.727 1.00 0.00 H new ATOM 0 HD2 LYS A 71 12.411 18.210 -10.950 1.00 0.00 H new ATOM 0 HD3 LYS A 71 12.894 19.858 -11.296 1.00 0.00 H new ATOM 0 HE2 LYS A 71 12.904 20.486 -9.055 1.00 0.00 H new ATOM 0 HE3 LYS A 71 11.690 19.305 -8.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 13.676 18.504 -7.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 13.463 17.573 -9.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 14.573 18.858 -9.116 1.00 0.00 H new ATOM 1089 N ARG A 72 7.968 19.891 -11.953 1.00 0.00 N ATOM 1090 CA ARG A 72 7.444 20.783 -12.976 1.00 0.00 C ATOM 1091 C ARG A 72 7.410 22.214 -12.455 1.00 0.00 C ATOM 1092 O ARG A 72 6.995 22.460 -11.323 1.00 0.00 O ATOM 1093 CB ARG A 72 6.040 20.343 -13.393 1.00 0.00 C ATOM 1094 CG ARG A 72 5.079 20.195 -12.225 1.00 0.00 C ATOM 1095 CD ARG A 72 5.293 18.880 -11.492 1.00 0.00 C ATOM 1096 NE ARG A 72 5.258 17.735 -12.398 1.00 0.00 N ATOM 1097 CZ ARG A 72 4.146 17.275 -12.968 1.00 0.00 C ATOM 1098 NH1 ARG A 72 2.978 17.858 -12.728 1.00 0.00 N ATOM 1099 NH2 ARG A 72 4.203 16.229 -13.781 1.00 0.00 N ATOM 0 H ARG A 72 7.976 20.291 -11.015 1.00 0.00 H new ATOM 0 HA ARG A 72 8.098 20.739 -13.847 1.00 0.00 H new ATOM 0 HB2 ARG A 72 5.634 21.069 -14.097 1.00 0.00 H new ATOM 0 HB3 ARG A 72 6.108 19.391 -13.920 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.216 21.025 -11.532 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.053 20.248 -12.588 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.253 18.905 -10.976 1.00 0.00 H new ATOM 0 HD3 ARG A 72 4.524 18.762 -10.729 1.00 0.00 H new ATOM 0 HE ARG A 72 6.136 17.260 -12.606 1.00 0.00 H new ATOM 0 HH11 ARG A 72 2.929 18.663 -12.104 1.00 0.00 H new ATOM 0 HH12 ARG A 72 2.130 17.501 -13.168 1.00 0.00 H new ATOM 0 HH21 ARG A 72 5.098 15.778 -13.969 1.00 0.00 H new ATOM 0 HH22 ARG A 72 3.352 15.876 -14.218 1.00 0.00 H new ATOM 1113 N LYS A 73 7.855 23.154 -13.279 1.00 0.00 N ATOM 1114 CA LYS A 73 7.878 24.559 -12.886 1.00 0.00 C ATOM 1115 C LYS A 73 6.484 25.038 -12.488 1.00 0.00 C ATOM 1116 O LYS A 73 5.569 24.235 -12.307 1.00 0.00 O ATOM 1117 CB LYS A 73 8.422 25.430 -14.024 1.00 0.00 C ATOM 1118 CG LYS A 73 9.626 24.836 -14.740 1.00 0.00 C ATOM 1119 CD LYS A 73 10.717 24.432 -13.761 1.00 0.00 C ATOM 1120 CE LYS A 73 12.102 24.667 -14.342 1.00 0.00 C ATOM 1121 NZ LYS A 73 13.090 23.672 -13.842 1.00 0.00 N ATOM 0 H LYS A 73 8.204 22.971 -14.220 1.00 0.00 H new ATOM 0 HA LYS A 73 8.537 24.652 -12.023 1.00 0.00 H new ATOM 0 HB2 LYS A 73 7.627 25.598 -14.751 1.00 0.00 H new ATOM 0 HB3 LYS A 73 8.697 26.405 -13.621 1.00 0.00 H new ATOM 0 HG2 LYS A 73 9.314 23.966 -15.317 1.00 0.00 H new ATOM 0 HG3 LYS A 73 10.023 25.563 -15.449 1.00 0.00 H new ATOM 0 HD2 LYS A 73 10.607 25.001 -12.838 1.00 0.00 H new ATOM 0 HD3 LYS A 73 10.604 23.379 -13.502 1.00 0.00 H new ATOM 0 HE2 LYS A 73 12.053 24.615 -15.430 1.00 0.00 H new ATOM 0 HE3 LYS A 73 12.437 25.672 -14.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 14.021 23.867 -14.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 13.156 23.739 -12.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 12.784 22.715 -14.108 1.00 0.00 H new ATOM 1135 N ASP A 74 6.330 26.352 -12.356 1.00 0.00 N ATOM 1136 CA ASP A 74 5.050 26.936 -11.982 1.00 0.00 C ATOM 1137 C ASP A 74 5.052 28.445 -12.207 1.00 0.00 C ATOM 1138 O ASP A 74 4.321 28.956 -13.056 1.00 0.00 O ATOM 1139 CB ASP A 74 4.729 26.623 -10.518 1.00 0.00 C ATOM 1140 CG ASP A 74 3.626 25.592 -10.376 1.00 0.00 C ATOM 1141 OD1 ASP A 74 3.356 24.872 -11.359 1.00 0.00 O ATOM 1142 OD2 ASP A 74 3.033 25.505 -9.280 1.00 0.00 O ATOM 0 H ASP A 74 7.077 27.031 -12.503 1.00 0.00 H new ATOM 0 HA ASP A 74 4.280 26.496 -12.615 1.00 0.00 H new ATOM 0 HB2 ASP A 74 5.629 26.260 -10.021 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.433 27.541 -10.010 1.00 0.00 H new ATOM 1147 N ASN A 75 5.876 29.154 -11.441 1.00 0.00 N ATOM 1148 CA ASN A 75 5.971 30.598 -11.556 1.00 0.00 C ATOM 1149 C ASN A 75 7.425 31.050 -11.624 1.00 0.00 C ATOM 1150 O ASN A 75 7.967 31.276 -12.706 1.00 0.00 O ATOM 1151 CB ASN A 75 5.257 31.271 -10.382 1.00 0.00 C ATOM 1152 CG ASN A 75 3.835 31.673 -10.724 1.00 0.00 C ATOM 1153 OD1 ASN A 75 2.877 31.020 -10.312 1.00 0.00 O ATOM 1154 ND2 ASN A 75 3.693 32.755 -11.481 1.00 0.00 N ATOM 0 H ASN A 75 6.487 28.747 -10.733 1.00 0.00 H new ATOM 0 HA ASN A 75 5.483 30.897 -12.484 1.00 0.00 H new ATOM 0 HB2 ASN A 75 5.245 30.591 -9.530 1.00 0.00 H new ATOM 0 HB3 ASN A 75 5.818 32.154 -10.077 1.00 0.00 H new ATOM 0 HD21 ASN A 75 2.761 33.075 -11.743 1.00 0.00 H new ATOM 0 HD22 ASN A 75 4.516 33.266 -11.800 1.00 0.00 H new ATOM 1161 N GLU A 76 8.046 31.185 -10.463 1.00 0.00 N ATOM 1162 CA GLU A 76 9.432 31.614 -10.377 1.00 0.00 C ATOM 1163 C GLU A 76 10.380 30.418 -10.346 1.00 0.00 C ATOM 1164 O GLU A 76 11.340 30.394 -9.575 1.00 0.00 O ATOM 1165 CB GLU A 76 9.643 32.481 -9.134 1.00 0.00 C ATOM 1166 CG GLU A 76 9.304 33.947 -9.351 1.00 0.00 C ATOM 1167 CD GLU A 76 10.538 34.814 -9.509 1.00 0.00 C ATOM 1168 OE1 GLU A 76 11.496 34.631 -8.728 1.00 0.00 O ATOM 1169 OE2 GLU A 76 10.547 35.675 -10.412 1.00 0.00 O ATOM 0 H GLU A 76 7.607 31.002 -9.561 1.00 0.00 H new ATOM 0 HA GLU A 76 9.656 32.203 -11.267 1.00 0.00 H new ATOM 0 HB2 GLU A 76 9.030 32.091 -8.321 1.00 0.00 H new ATOM 0 HB3 GLU A 76 10.683 32.400 -8.817 1.00 0.00 H new ATOM 0 HG2 GLU A 76 8.680 34.044 -10.240 1.00 0.00 H new ATOM 0 HG3 GLU A 76 8.716 34.309 -8.508 1.00 0.00 H new ATOM 1176 N GLY A 77 10.107 29.427 -11.190 1.00 0.00 N ATOM 1177 CA GLY A 77 10.947 28.244 -11.242 1.00 0.00 C ATOM 1178 C GLY A 77 11.095 27.573 -9.889 1.00 0.00 C ATOM 1179 O GLY A 77 12.158 27.046 -9.563 1.00 0.00 O ATOM 0 H GLY A 77 9.320 29.422 -11.838 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.523 27.533 -11.951 1.00 0.00 H new ATOM 0 HA3 GLY A 77 11.933 28.519 -11.617 1.00 0.00 H new ATOM 1183 N ASN A 78 10.025 27.593 -9.101 1.00 0.00 N ATOM 1184 CA ASN A 78 10.041 26.982 -7.777 1.00 0.00 C ATOM 1185 C ASN A 78 9.856 25.472 -7.873 1.00 0.00 C ATOM 1186 O ASN A 78 10.510 24.709 -7.163 1.00 0.00 O ATOM 1187 CB ASN A 78 8.944 27.588 -6.899 1.00 0.00 C ATOM 1188 CG ASN A 78 9.177 29.058 -6.614 1.00 0.00 C ATOM 1189 OD1 ASN A 78 10.205 29.620 -6.991 1.00 0.00 O ATOM 1190 ND2 ASN A 78 8.220 29.690 -5.944 1.00 0.00 N ATOM 0 H ASN A 78 9.137 28.025 -9.356 1.00 0.00 H new ATOM 0 HA ASN A 78 11.011 27.183 -7.323 1.00 0.00 H new ATOM 0 HB2 ASN A 78 7.979 27.465 -7.391 1.00 0.00 H new ATOM 0 HB3 ASN A 78 8.893 27.042 -5.957 1.00 0.00 H new ATOM 0 HD21 ASN A 78 8.321 30.681 -5.723 1.00 0.00 H new ATOM 0 HD22 ASN A 78 7.384 29.185 -5.651 1.00 0.00 H new ATOM 1197 N GLU A 79 8.957 25.047 -8.758 1.00 0.00 N ATOM 1198 CA GLU A 79 8.679 23.625 -8.953 1.00 0.00 C ATOM 1199 C GLU A 79 8.454 22.923 -7.614 1.00 0.00 C ATOM 1200 O GLU A 79 8.258 23.575 -6.588 1.00 0.00 O ATOM 1201 CB GLU A 79 9.827 22.945 -9.711 1.00 0.00 C ATOM 1202 CG GLU A 79 10.639 23.885 -10.591 1.00 0.00 C ATOM 1203 CD GLU A 79 11.970 24.267 -9.971 1.00 0.00 C ATOM 1204 OE1 GLU A 79 12.199 23.922 -8.793 1.00 0.00 O ATOM 1205 OE2 GLU A 79 12.784 24.911 -10.666 1.00 0.00 O ATOM 0 H GLU A 79 8.408 25.668 -9.352 1.00 0.00 H new ATOM 0 HA GLU A 79 7.768 23.544 -9.546 1.00 0.00 H new ATOM 0 HB2 GLU A 79 10.495 22.474 -8.990 1.00 0.00 H new ATOM 0 HB3 GLU A 79 9.416 22.149 -10.332 1.00 0.00 H new ATOM 0 HG2 GLU A 79 10.816 23.410 -11.556 1.00 0.00 H new ATOM 0 HG3 GLU A 79 10.059 24.788 -10.782 1.00 0.00 H new ATOM 1212 N VAL A 80 8.486 21.593 -7.628 1.00 0.00 N ATOM 1213 CA VAL A 80 8.290 20.812 -6.411 1.00 0.00 C ATOM 1214 C VAL A 80 8.389 19.317 -6.686 1.00 0.00 C ATOM 1215 O VAL A 80 8.127 18.858 -7.796 1.00 0.00 O ATOM 1216 CB VAL A 80 6.923 21.102 -5.764 1.00 0.00 C ATOM 1217 CG1 VAL A 80 5.797 20.799 -6.740 1.00 0.00 C ATOM 1218 CG2 VAL A 80 6.755 20.297 -4.482 1.00 0.00 C ATOM 0 H VAL A 80 8.645 21.035 -8.467 1.00 0.00 H new ATOM 0 HA VAL A 80 9.084 21.109 -5.726 1.00 0.00 H new ATOM 0 HB VAL A 80 6.880 22.161 -5.509 1.00 0.00 H new ATOM 0 HG11 VAL A 80 4.838 21.010 -6.266 1.00 0.00 H new ATOM 0 HG12 VAL A 80 5.908 21.422 -7.628 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.837 19.748 -7.027 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.783 20.516 -4.040 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.819 19.233 -4.710 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.543 20.565 -3.778 1.00 0.00 H new ATOM 1228 N VAL A 81 8.757 18.563 -5.658 1.00 0.00 N ATOM 1229 CA VAL A 81 8.882 17.120 -5.773 1.00 0.00 C ATOM 1230 C VAL A 81 7.506 16.454 -5.759 1.00 0.00 C ATOM 1231 O VAL A 81 6.813 16.472 -4.742 1.00 0.00 O ATOM 1232 CB VAL A 81 9.739 16.538 -4.631 1.00 0.00 C ATOM 1233 CG1 VAL A 81 9.098 16.817 -3.280 1.00 0.00 C ATOM 1234 CG2 VAL A 81 9.955 15.045 -4.830 1.00 0.00 C ATOM 0 H VAL A 81 8.975 18.931 -4.732 1.00 0.00 H new ATOM 0 HA VAL A 81 9.375 16.914 -6.723 1.00 0.00 H new ATOM 0 HB VAL A 81 10.713 17.028 -4.650 1.00 0.00 H new ATOM 0 HG11 VAL A 81 9.719 16.398 -2.489 1.00 0.00 H new ATOM 0 HG12 VAL A 81 9.006 17.894 -3.137 1.00 0.00 H new ATOM 0 HG13 VAL A 81 8.109 16.360 -3.245 1.00 0.00 H new ATOM 0 HG21 VAL A 81 10.562 14.653 -4.014 1.00 0.00 H new ATOM 0 HG22 VAL A 81 8.991 14.536 -4.842 1.00 0.00 H new ATOM 0 HG23 VAL A 81 10.467 14.874 -5.777 1.00 0.00 H new ATOM 1244 N PRO A 82 7.085 15.857 -6.889 1.00 0.00 N ATOM 1245 CA PRO A 82 5.782 15.190 -6.986 1.00 0.00 C ATOM 1246 C PRO A 82 5.569 14.173 -5.872 1.00 0.00 C ATOM 1247 O PRO A 82 6.302 13.190 -5.766 1.00 0.00 O ATOM 1248 CB PRO A 82 5.844 14.494 -8.347 1.00 0.00 C ATOM 1249 CG PRO A 82 6.798 15.316 -9.138 1.00 0.00 C ATOM 1250 CD PRO A 82 7.835 15.780 -8.157 1.00 0.00 C ATOM 0 HA PRO A 82 4.953 15.891 -6.889 1.00 0.00 H new ATOM 0 HB2 PRO A 82 6.190 13.465 -8.252 1.00 0.00 H new ATOM 0 HB3 PRO A 82 4.863 14.458 -8.820 1.00 0.00 H new ATOM 0 HG2 PRO A 82 7.249 14.731 -9.939 1.00 0.00 H new ATOM 0 HG3 PRO A 82 6.294 16.162 -9.606 1.00 0.00 H new ATOM 0 HD2 PRO A 82 8.669 15.081 -8.091 1.00 0.00 H new ATOM 0 HD3 PRO A 82 8.252 16.747 -8.438 1.00 0.00 H new ATOM 1258 N LYS A 83 4.560 14.418 -5.040 1.00 0.00 N ATOM 1259 CA LYS A 83 4.245 13.526 -3.925 1.00 0.00 C ATOM 1260 C LYS A 83 4.244 12.063 -4.371 1.00 0.00 C ATOM 1261 O LYS A 83 3.868 11.752 -5.501 1.00 0.00 O ATOM 1262 CB LYS A 83 2.885 13.889 -3.326 1.00 0.00 C ATOM 1263 CG LYS A 83 2.857 15.257 -2.663 1.00 0.00 C ATOM 1264 CD LYS A 83 2.088 16.268 -3.498 1.00 0.00 C ATOM 1265 CE LYS A 83 0.587 16.052 -3.391 1.00 0.00 C ATOM 1266 NZ LYS A 83 -0.158 16.793 -4.446 1.00 0.00 N ATOM 0 H LYS A 83 3.945 15.228 -5.116 1.00 0.00 H new ATOM 0 HA LYS A 83 5.017 13.651 -3.166 1.00 0.00 H new ATOM 0 HB2 LYS A 83 2.132 13.861 -4.113 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.607 13.133 -2.592 1.00 0.00 H new ATOM 0 HG2 LYS A 83 2.399 15.175 -1.677 1.00 0.00 H new ATOM 0 HG3 LYS A 83 3.877 15.610 -2.512 1.00 0.00 H new ATOM 0 HD2 LYS A 83 2.336 17.277 -3.169 1.00 0.00 H new ATOM 0 HD3 LYS A 83 2.395 16.189 -4.541 1.00 0.00 H new ATOM 0 HE2 LYS A 83 0.367 14.987 -3.471 1.00 0.00 H new ATOM 0 HE3 LYS A 83 0.243 16.376 -2.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -1.178 16.619 -4.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 0.031 17.812 -4.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 0.151 16.467 -5.384 1.00 0.00 H new ATOM 1280 N PRO A 84 4.667 11.144 -3.485 1.00 0.00 N ATOM 1281 CA PRO A 84 4.713 9.711 -3.796 1.00 0.00 C ATOM 1282 C PRO A 84 3.363 9.174 -4.257 1.00 0.00 C ATOM 1283 O PRO A 84 2.314 9.683 -3.864 1.00 0.00 O ATOM 1284 CB PRO A 84 5.116 9.065 -2.467 1.00 0.00 C ATOM 1285 CG PRO A 84 5.805 10.146 -1.709 1.00 0.00 C ATOM 1286 CD PRO A 84 5.133 11.427 -2.115 1.00 0.00 C ATOM 0 HA PRO A 84 5.401 9.498 -4.614 1.00 0.00 H new ATOM 0 HB2 PRO A 84 4.244 8.697 -1.926 1.00 0.00 H new ATOM 0 HB3 PRO A 84 5.776 8.212 -2.626 1.00 0.00 H new ATOM 0 HG2 PRO A 84 5.721 9.984 -0.634 1.00 0.00 H new ATOM 0 HG3 PRO A 84 6.869 10.171 -1.945 1.00 0.00 H new ATOM 0 HD2 PRO A 84 4.305 11.675 -1.451 1.00 0.00 H new ATOM 0 HD3 PRO A 84 5.824 12.269 -2.091 1.00 0.00 H new ATOM 1294 N GLN A 85 3.398 8.140 -5.091 1.00 0.00 N ATOM 1295 CA GLN A 85 2.176 7.531 -5.603 1.00 0.00 C ATOM 1296 C GLN A 85 1.498 6.693 -4.525 1.00 0.00 C ATOM 1297 O GLN A 85 1.610 5.467 -4.514 1.00 0.00 O ATOM 1298 CB GLN A 85 2.486 6.661 -6.823 1.00 0.00 C ATOM 1299 CG GLN A 85 1.310 6.505 -7.774 1.00 0.00 C ATOM 1300 CD GLN A 85 1.351 7.497 -8.919 1.00 0.00 C ATOM 1301 OE1 GLN A 85 2.167 7.375 -9.833 1.00 0.00 O ATOM 1302 NE2 GLN A 85 0.468 8.488 -8.875 1.00 0.00 N ATOM 0 H GLN A 85 4.258 7.707 -5.426 1.00 0.00 H new ATOM 0 HA GLN A 85 1.497 8.330 -5.901 1.00 0.00 H new ATOM 0 HB2 GLN A 85 3.326 7.096 -7.365 1.00 0.00 H new ATOM 0 HB3 GLN A 85 2.802 5.674 -6.484 1.00 0.00 H new ATOM 0 HG2 GLN A 85 1.304 5.492 -8.176 1.00 0.00 H new ATOM 0 HG3 GLN A 85 0.380 6.633 -7.220 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -0.190 8.550 -8.098 1.00 0.00 H new ATOM 0 HE22 GLN A 85 0.448 9.187 -9.618 1.00 0.00 H new ATOM 1311 N ARG A 86 0.797 7.363 -3.617 1.00 0.00 N ATOM 1312 CA ARG A 86 0.102 6.682 -2.531 1.00 0.00 C ATOM 1313 C ARG A 86 -1.243 6.140 -3.001 1.00 0.00 C ATOM 1314 O ARG A 86 -2.109 6.897 -3.440 1.00 0.00 O ATOM 1315 CB ARG A 86 -0.104 7.634 -1.350 1.00 0.00 C ATOM 1316 CG ARG A 86 1.101 8.513 -1.056 1.00 0.00 C ATOM 1317 CD ARG A 86 0.836 9.452 0.110 1.00 0.00 C ATOM 1318 NE ARG A 86 2.073 9.899 0.745 1.00 0.00 N ATOM 1319 CZ ARG A 86 2.152 10.953 1.553 1.00 0.00 C ATOM 1320 NH1 ARG A 86 1.070 11.671 1.828 1.00 0.00 N ATOM 1321 NH2 ARG A 86 3.317 11.291 2.090 1.00 0.00 N ATOM 0 H ARG A 86 0.695 8.378 -3.612 1.00 0.00 H new ATOM 0 HA ARG A 86 0.720 5.844 -2.209 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -0.965 8.270 -1.553 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.342 7.050 -0.461 1.00 0.00 H new ATOM 0 HG2 ARG A 86 1.963 7.886 -0.830 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.353 9.095 -1.943 1.00 0.00 H new ATOM 0 HD2 ARG A 86 0.276 10.318 -0.242 1.00 0.00 H new ATOM 0 HD3 ARG A 86 0.212 8.947 0.847 1.00 0.00 H new ATOM 0 HE ARG A 86 2.926 9.372 0.558 1.00 0.00 H new ATOM 0 HH11 ARG A 86 0.171 11.416 1.419 1.00 0.00 H new ATOM 0 HH12 ARG A 86 1.137 12.478 2.448 1.00 0.00 H new ATOM 0 HH21 ARG A 86 4.152 10.743 1.883 1.00 0.00 H new ATOM 0 HH22 ARG A 86 3.378 12.099 2.709 1.00 0.00 H new ATOM 1335 N HIS A 87 -1.413 4.825 -2.907 1.00 0.00 N ATOM 1336 CA HIS A 87 -2.656 4.183 -3.323 1.00 0.00 C ATOM 1337 C HIS A 87 -3.309 3.455 -2.154 1.00 0.00 C ATOM 1338 O HIS A 87 -2.631 3.031 -1.218 1.00 0.00 O ATOM 1339 CB HIS A 87 -2.399 3.199 -4.471 1.00 0.00 C ATOM 1340 CG HIS A 87 -1.006 2.647 -4.500 1.00 0.00 C ATOM 1341 ND1 HIS A 87 -0.056 3.048 -5.416 1.00 0.00 N ATOM 1342 CD2 HIS A 87 -0.403 1.720 -3.717 1.00 0.00 C ATOM 1343 CE1 HIS A 87 1.069 2.391 -5.197 1.00 0.00 C ATOM 1344 NE2 HIS A 87 0.886 1.580 -4.172 1.00 0.00 N ATOM 0 H HIS A 87 -0.707 4.183 -2.547 1.00 0.00 H new ATOM 0 HA HIS A 87 -3.334 4.962 -3.671 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -3.105 2.372 -4.392 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -2.600 3.701 -5.418 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -0.200 3.743 -6.148 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -0.852 1.190 -2.890 1.00 0.00 H new ATOM 0 HE1 HIS A 87 1.984 2.499 -5.761 1.00 0.00 H new ATOM 1353 N MET A 88 -4.629 3.310 -2.215 1.00 0.00 N ATOM 1354 CA MET A 88 -5.370 2.628 -1.161 1.00 0.00 C ATOM 1355 C MET A 88 -5.989 1.338 -1.682 1.00 0.00 C ATOM 1356 O MET A 88 -6.853 1.358 -2.558 1.00 0.00 O ATOM 1357 CB MET A 88 -6.462 3.539 -0.590 1.00 0.00 C ATOM 1358 CG MET A 88 -7.217 2.933 0.589 1.00 0.00 C ATOM 1359 SD MET A 88 -8.359 4.104 1.355 1.00 0.00 S ATOM 1360 CE MET A 88 -8.392 3.537 3.061 1.00 0.00 C ATOM 0 H MET A 88 -5.206 3.655 -2.982 1.00 0.00 H new ATOM 0 HA MET A 88 -4.668 2.381 -0.365 1.00 0.00 H new ATOM 0 HB2 MET A 88 -6.009 4.479 -0.275 1.00 0.00 H new ATOM 0 HB3 MET A 88 -7.173 3.777 -1.381 1.00 0.00 H new ATOM 0 HG2 MET A 88 -7.772 2.058 0.250 1.00 0.00 H new ATOM 0 HG3 MET A 88 -6.502 2.587 1.335 1.00 0.00 H new ATOM 0 HE1 MET A 88 -8.595 4.381 3.721 1.00 0.00 H new ATOM 0 HE2 MET A 88 -9.174 2.787 3.180 1.00 0.00 H new ATOM 0 HE3 MET A 88 -7.427 3.099 3.318 1.00 0.00 H new ATOM 1370 N PHE A 89 -5.544 0.218 -1.127 1.00 0.00 N ATOM 1371 CA PHE A 89 -6.052 -1.089 -1.518 1.00 0.00 C ATOM 1372 C PHE A 89 -7.194 -1.484 -0.589 1.00 0.00 C ATOM 1373 O PHE A 89 -7.019 -1.526 0.625 1.00 0.00 O ATOM 1374 CB PHE A 89 -4.923 -2.119 -1.464 1.00 0.00 C ATOM 1375 CG PHE A 89 -4.642 -2.759 -2.790 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -5.672 -3.294 -3.546 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -3.350 -2.816 -3.287 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -5.419 -3.873 -4.774 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -3.090 -3.397 -4.513 1.00 0.00 C ATOM 1380 CZ PHE A 89 -4.127 -3.925 -5.257 1.00 0.00 C ATOM 0 H PHE A 89 -4.828 0.190 -0.401 1.00 0.00 H new ATOM 0 HA PHE A 89 -6.430 -1.050 -2.540 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.016 -1.635 -1.102 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -5.181 -2.893 -0.742 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -6.684 -3.258 -3.171 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.537 -2.402 -2.709 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -6.231 -4.284 -5.355 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.078 -3.438 -4.889 1.00 0.00 H new ATOM 0 HZ PHE A 89 -3.927 -4.378 -6.217 1.00 0.00 H new ATOM 1390 N SER A 90 -8.373 -1.735 -1.158 1.00 0.00 N ATOM 1391 CA SER A 90 -9.544 -2.075 -0.355 1.00 0.00 C ATOM 1392 C SER A 90 -10.073 -3.470 -0.652 1.00 0.00 C ATOM 1393 O SER A 90 -10.141 -3.894 -1.805 1.00 0.00 O ATOM 1394 CB SER A 90 -10.650 -1.054 -0.604 1.00 0.00 C ATOM 1395 OG SER A 90 -11.607 -1.070 0.440 1.00 0.00 O ATOM 0 H SER A 90 -8.541 -1.709 -2.164 1.00 0.00 H new ATOM 0 HA SER A 90 -9.233 -2.058 0.690 1.00 0.00 H new ATOM 0 HB2 SER A 90 -10.216 -0.058 -0.688 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.140 -1.269 -1.553 1.00 0.00 H new ATOM 0 HG SER A 90 -12.303 -0.405 0.256 1.00 0.00 H new ATOM 1401 N PHE A 91 -10.465 -4.169 0.408 1.00 0.00 N ATOM 1402 CA PHE A 91 -11.013 -5.513 0.289 1.00 0.00 C ATOM 1403 C PHE A 91 -12.056 -5.755 1.376 1.00 0.00 C ATOM 1404 O PHE A 91 -12.213 -4.943 2.287 1.00 0.00 O ATOM 1405 CB PHE A 91 -9.910 -6.577 0.358 1.00 0.00 C ATOM 1406 CG PHE A 91 -8.529 -6.037 0.619 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -7.875 -5.300 -0.349 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -7.880 -6.279 1.821 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -6.606 -4.814 -0.134 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -6.606 -5.789 2.042 1.00 0.00 C ATOM 1411 CZ PHE A 91 -5.969 -5.057 1.063 1.00 0.00 C ATOM 0 H PHE A 91 -10.412 -3.822 1.366 1.00 0.00 H new ATOM 0 HA PHE A 91 -11.492 -5.595 -0.687 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -10.161 -7.290 1.143 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -9.898 -7.129 -0.582 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -8.368 -5.102 -1.290 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -8.374 -6.855 2.590 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -6.109 -4.242 -0.904 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -6.110 -5.980 2.982 1.00 0.00 H new ATOM 0 HZ PHE A 91 -4.973 -4.675 1.234 1.00 0.00 H new ATOM 1421 N ASN A 92 -12.780 -6.864 1.268 1.00 0.00 N ATOM 1422 CA ASN A 92 -13.821 -7.189 2.238 1.00 0.00 C ATOM 1423 C ASN A 92 -13.376 -8.285 3.203 1.00 0.00 C ATOM 1424 O ASN A 92 -14.200 -9.058 3.692 1.00 0.00 O ATOM 1425 CB ASN A 92 -15.097 -7.624 1.516 1.00 0.00 C ATOM 1426 CG ASN A 92 -15.755 -6.481 0.768 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -16.712 -5.877 1.253 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -15.245 -6.179 -0.420 1.00 0.00 N ATOM 0 H ASN A 92 -12.666 -7.551 0.522 1.00 0.00 H new ATOM 0 HA ASN A 92 -14.018 -6.289 2.820 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -14.860 -8.425 0.815 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -15.800 -8.033 2.241 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -15.647 -5.420 -0.970 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -14.451 -6.706 -0.783 1.00 0.00 H new ATOM 1435 N ASN A 93 -12.078 -8.350 3.483 1.00 0.00 N ATOM 1436 CA ASN A 93 -11.555 -9.358 4.397 1.00 0.00 C ATOM 1437 C ASN A 93 -10.650 -8.733 5.454 1.00 0.00 C ATOM 1438 O ASN A 93 -9.480 -8.455 5.197 1.00 0.00 O ATOM 1439 CB ASN A 93 -10.794 -10.435 3.625 1.00 0.00 C ATOM 1440 CG ASN A 93 -11.712 -11.508 3.073 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -12.606 -11.993 3.767 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -11.495 -11.885 1.819 1.00 0.00 N ATOM 0 H ASN A 93 -11.375 -7.722 3.094 1.00 0.00 H new ATOM 0 HA ASN A 93 -12.403 -9.817 4.905 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -10.247 -9.972 2.804 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -10.055 -10.895 4.281 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -12.081 -12.604 1.394 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -10.742 -11.456 1.280 1.00 0.00 H new ATOM 1449 N ARG A 94 -11.201 -8.524 6.646 1.00 0.00 N ATOM 1450 CA ARG A 94 -10.444 -7.940 7.748 1.00 0.00 C ATOM 1451 C ARG A 94 -9.285 -8.847 8.151 1.00 0.00 C ATOM 1452 O ARG A 94 -8.273 -8.382 8.676 1.00 0.00 O ATOM 1453 CB ARG A 94 -11.359 -7.697 8.949 1.00 0.00 C ATOM 1454 CG ARG A 94 -12.591 -6.871 8.619 1.00 0.00 C ATOM 1455 CD ARG A 94 -13.592 -6.881 9.762 1.00 0.00 C ATOM 1456 NE ARG A 94 -14.368 -8.118 9.798 1.00 0.00 N ATOM 1457 CZ ARG A 94 -15.128 -8.487 10.827 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -15.216 -7.718 11.905 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -15.802 -9.628 10.778 1.00 0.00 N ATOM 0 H ARG A 94 -12.169 -8.750 6.873 1.00 0.00 H new ATOM 0 HA ARG A 94 -10.036 -6.987 7.412 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -11.675 -8.658 9.355 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -10.792 -7.192 9.731 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -12.295 -5.845 8.403 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -13.062 -7.263 7.718 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -13.064 -6.756 10.707 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -14.268 -6.032 9.660 1.00 0.00 H new ATOM 0 HE ARG A 94 -14.325 -8.735 8.987 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -14.700 -6.839 11.948 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -15.800 -8.006 12.690 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -15.738 -10.223 9.952 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -16.384 -9.911 11.566 1.00 0.00 H new ATOM 1473 N THR A 95 -9.444 -10.144 7.909 1.00 0.00 N ATOM 1474 CA THR A 95 -8.435 -11.117 8.241 1.00 0.00 C ATOM 1475 C THR A 95 -7.334 -11.154 7.183 1.00 0.00 C ATOM 1476 O THR A 95 -6.154 -11.291 7.506 1.00 0.00 O ATOM 1477 CB THR A 95 -9.101 -12.476 8.354 1.00 0.00 C ATOM 1478 OG1 THR A 95 -10.512 -12.345 8.402 1.00 0.00 O ATOM 1479 CG2 THR A 95 -8.676 -13.245 9.574 1.00 0.00 C ATOM 0 H THR A 95 -10.279 -10.540 7.477 1.00 0.00 H new ATOM 0 HA THR A 95 -7.968 -10.845 9.188 1.00 0.00 H new ATOM 0 HB THR A 95 -8.786 -13.025 7.466 1.00 0.00 H new ATOM 0 HG1 THR A 95 -10.921 -13.233 8.473 1.00 0.00 H new ATOM 0 HG21 THR A 95 -9.188 -14.207 9.595 1.00 0.00 H new ATOM 0 HG22 THR A 95 -7.599 -13.408 9.544 1.00 0.00 H new ATOM 0 HG23 THR A 95 -8.932 -12.678 10.469 1.00 0.00 H new ATOM 1487 N VAL A 96 -7.730 -11.035 5.919 1.00 0.00 N ATOM 1488 CA VAL A 96 -6.778 -11.061 4.814 1.00 0.00 C ATOM 1489 C VAL A 96 -5.905 -9.809 4.807 1.00 0.00 C ATOM 1490 O VAL A 96 -4.701 -9.880 4.557 1.00 0.00 O ATOM 1491 CB VAL A 96 -7.498 -11.203 3.449 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -7.794 -9.845 2.823 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -6.672 -12.058 2.502 1.00 0.00 C ATOM 0 H VAL A 96 -8.703 -10.920 5.635 1.00 0.00 H new ATOM 0 HA VAL A 96 -6.141 -11.933 4.963 1.00 0.00 H new ATOM 0 HB VAL A 96 -8.453 -11.696 3.629 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -8.299 -9.987 1.868 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -8.435 -9.269 3.490 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -6.860 -9.307 2.663 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -7.191 -12.149 1.548 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -5.700 -11.591 2.344 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -6.532 -13.049 2.934 1.00 0.00 H new ATOM 1503 N MET A 97 -6.523 -8.663 5.069 1.00 0.00 N ATOM 1504 CA MET A 97 -5.804 -7.392 5.078 1.00 0.00 C ATOM 1505 C MET A 97 -4.684 -7.381 6.118 1.00 0.00 C ATOM 1506 O MET A 97 -3.536 -7.070 5.803 1.00 0.00 O ATOM 1507 CB MET A 97 -6.770 -6.231 5.337 1.00 0.00 C ATOM 1508 CG MET A 97 -7.810 -6.519 6.412 1.00 0.00 C ATOM 1509 SD MET A 97 -7.870 -5.274 7.722 1.00 0.00 S ATOM 1510 CE MET A 97 -6.171 -4.709 7.783 1.00 0.00 C ATOM 0 H MET A 97 -7.518 -8.587 5.278 1.00 0.00 H new ATOM 0 HA MET A 97 -5.349 -7.269 4.095 1.00 0.00 H new ATOM 0 HB2 MET A 97 -6.195 -5.352 5.628 1.00 0.00 H new ATOM 0 HB3 MET A 97 -7.282 -5.984 4.407 1.00 0.00 H new ATOM 0 HG2 MET A 97 -8.792 -6.589 5.945 1.00 0.00 H new ATOM 0 HG3 MET A 97 -7.599 -7.491 6.857 1.00 0.00 H new ATOM 0 HE1 MET A 97 -6.016 -4.120 8.687 1.00 0.00 H new ATOM 0 HE2 MET A 97 -5.502 -5.569 7.791 1.00 0.00 H new ATOM 0 HE3 MET A 97 -5.961 -4.094 6.908 1.00 0.00 H new ATOM 1520 N ASP A 98 -5.029 -7.703 7.358 1.00 0.00 N ATOM 1521 CA ASP A 98 -4.059 -7.712 8.450 1.00 0.00 C ATOM 1522 C ASP A 98 -3.074 -8.874 8.331 1.00 0.00 C ATOM 1523 O ASP A 98 -1.985 -8.833 8.904 1.00 0.00 O ATOM 1524 CB ASP A 98 -4.785 -7.784 9.794 1.00 0.00 C ATOM 1525 CG ASP A 98 -3.834 -7.700 10.972 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -3.147 -8.705 11.253 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -3.775 -6.630 11.613 1.00 0.00 O ATOM 0 H ASP A 98 -5.976 -7.962 7.635 1.00 0.00 H new ATOM 0 HA ASP A 98 -3.488 -6.786 8.388 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -5.509 -6.971 9.857 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -5.347 -8.716 9.850 1.00 0.00 H new ATOM 1532 N ASN A 99 -3.463 -9.915 7.603 1.00 0.00 N ATOM 1533 CA ASN A 99 -2.609 -11.088 7.437 1.00 0.00 C ATOM 1534 C ASN A 99 -1.492 -10.841 6.427 1.00 0.00 C ATOM 1535 O ASN A 99 -0.380 -11.344 6.590 1.00 0.00 O ATOM 1536 CB ASN A 99 -3.446 -12.292 7.000 1.00 0.00 C ATOM 1537 CG ASN A 99 -3.977 -13.084 8.178 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -3.931 -14.315 8.184 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -4.485 -12.381 9.183 1.00 0.00 N ATOM 0 H ASN A 99 -4.360 -9.972 7.120 1.00 0.00 H new ATOM 0 HA ASN A 99 -2.146 -11.294 8.402 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -4.282 -11.948 6.390 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -2.840 -12.944 6.371 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -4.858 -12.860 10.003 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -4.503 -11.362 9.135 1.00 0.00 H new ATOM 1546 N ILE A 100 -1.788 -10.081 5.379 1.00 0.00 N ATOM 1547 CA ILE A 100 -0.796 -9.797 4.350 1.00 0.00 C ATOM 1548 C ILE A 100 0.057 -8.578 4.700 1.00 0.00 C ATOM 1549 O ILE A 100 1.228 -8.509 4.329 1.00 0.00 O ATOM 1550 CB ILE A 100 -1.456 -9.586 2.973 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -0.388 -9.497 1.881 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -2.325 -8.338 2.978 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -0.935 -9.084 0.531 1.00 0.00 C ATOM 0 H ILE A 100 -2.700 -9.653 5.220 1.00 0.00 H new ATOM 0 HA ILE A 100 -0.146 -10.670 4.301 1.00 0.00 H new ATOM 0 HB ILE A 100 -2.096 -10.442 2.762 1.00 0.00 H new ATOM 0 HG12 ILE A 100 0.376 -8.782 2.188 1.00 0.00 H new ATOM 0 HG13 ILE A 100 0.102 -10.466 1.784 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -2.781 -8.208 1.997 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -3.107 -8.442 3.730 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -1.711 -7.468 3.211 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -0.122 -9.042 -0.194 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -1.677 -9.811 0.201 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.400 -8.102 0.612 1.00 0.00 H new ATOM 1565 N LYS A 101 -0.527 -7.620 5.416 1.00 0.00 N ATOM 1566 CA LYS A 101 0.205 -6.418 5.807 1.00 0.00 C ATOM 1567 C LYS A 101 1.176 -6.726 6.935 1.00 0.00 C ATOM 1568 O LYS A 101 2.310 -6.252 6.940 1.00 0.00 O ATOM 1569 CB LYS A 101 -0.755 -5.310 6.244 1.00 0.00 C ATOM 1570 CG LYS A 101 -0.070 -3.967 6.455 1.00 0.00 C ATOM 1571 CD LYS A 101 0.353 -3.766 7.905 1.00 0.00 C ATOM 1572 CE LYS A 101 -0.838 -3.500 8.814 1.00 0.00 C ATOM 1573 NZ LYS A 101 -0.544 -3.857 10.230 1.00 0.00 N ATOM 0 H LYS A 101 -1.495 -7.651 5.735 1.00 0.00 H new ATOM 0 HA LYS A 101 0.765 -6.073 4.938 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -1.535 -5.197 5.491 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -1.246 -5.609 7.170 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.805 -3.901 5.809 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -0.746 -3.164 6.159 1.00 0.00 H new ATOM 0 HD2 LYS A 101 0.885 -4.651 8.254 1.00 0.00 H new ATOM 0 HD3 LYS A 101 1.050 -2.930 7.967 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -1.113 -2.447 8.754 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -1.697 -4.074 8.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -1.120 -3.267 10.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -0.770 -4.859 10.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 0.464 -3.694 10.427 1.00 0.00 H new ATOM 1587 N MET A 102 0.722 -7.524 7.893 1.00 0.00 N ATOM 1588 CA MET A 102 1.552 -7.898 9.034 1.00 0.00 C ATOM 1589 C MET A 102 2.920 -8.393 8.571 1.00 0.00 C ATOM 1590 O MET A 102 3.924 -8.217 9.262 1.00 0.00 O ATOM 1591 CB MET A 102 0.857 -8.980 9.865 1.00 0.00 C ATOM 1592 CG MET A 102 0.112 -8.434 11.072 1.00 0.00 C ATOM 1593 SD MET A 102 0.237 -9.512 12.512 1.00 0.00 S ATOM 1594 CE MET A 102 -1.221 -10.531 12.300 1.00 0.00 C ATOM 0 H MET A 102 -0.216 -7.925 7.904 1.00 0.00 H new ATOM 0 HA MET A 102 1.697 -7.013 9.654 1.00 0.00 H new ATOM 0 HB2 MET A 102 0.156 -9.520 9.229 1.00 0.00 H new ATOM 0 HB3 MET A 102 1.601 -9.701 10.203 1.00 0.00 H new ATOM 0 HG2 MET A 102 0.508 -7.450 11.324 1.00 0.00 H new ATOM 0 HG3 MET A 102 -0.938 -8.298 10.815 1.00 0.00 H new ATOM 0 HE1 MET A 102 -1.005 -11.548 12.628 1.00 0.00 H new ATOM 0 HE2 MET A 102 -2.039 -10.124 12.894 1.00 0.00 H new ATOM 0 HE3 MET A 102 -1.507 -10.543 11.248 1.00 0.00 H new ATOM 1604 N THR A 103 2.947 -9.012 7.397 1.00 0.00 N ATOM 1605 CA THR A 103 4.185 -9.536 6.831 1.00 0.00 C ATOM 1606 C THR A 103 4.898 -8.485 5.982 1.00 0.00 C ATOM 1607 O THR A 103 6.063 -8.168 6.219 1.00 0.00 O ATOM 1608 CB THR A 103 3.887 -10.776 5.988 1.00 0.00 C ATOM 1609 OG1 THR A 103 3.292 -11.789 6.780 1.00 0.00 O ATOM 1610 CG2 THR A 103 5.116 -11.369 5.332 1.00 0.00 C ATOM 0 H THR A 103 2.122 -9.164 6.816 1.00 0.00 H new ATOM 0 HA THR A 103 4.846 -9.806 7.655 1.00 0.00 H new ATOM 0 HB THR A 103 3.209 -10.435 5.206 1.00 0.00 H new ATOM 0 HG1 THR A 103 3.396 -12.656 6.335 1.00 0.00 H new ATOM 0 HG21 THR A 103 4.831 -12.245 4.750 1.00 0.00 H new ATOM 0 HG22 THR A 103 5.570 -10.628 4.674 1.00 0.00 H new ATOM 0 HG23 THR A 103 5.833 -11.661 6.099 1.00 0.00 H new ATOM 1618 N LEU A 104 4.196 -7.956 4.985 1.00 0.00 N ATOM 1619 CA LEU A 104 4.769 -6.951 4.095 1.00 0.00 C ATOM 1620 C LEU A 104 5.154 -5.680 4.856 1.00 0.00 C ATOM 1621 O LEU A 104 6.002 -4.911 4.404 1.00 0.00 O ATOM 1622 CB LEU A 104 3.786 -6.631 2.958 1.00 0.00 C ATOM 1623 CG LEU A 104 2.906 -5.393 3.159 1.00 0.00 C ATOM 1624 CD1 LEU A 104 3.534 -4.184 2.485 1.00 0.00 C ATOM 1625 CD2 LEU A 104 1.506 -5.639 2.616 1.00 0.00 C ATOM 0 H LEU A 104 3.230 -8.206 4.773 1.00 0.00 H new ATOM 0 HA LEU A 104 5.683 -7.361 3.665 1.00 0.00 H new ATOM 0 HB2 LEU A 104 4.356 -6.502 2.038 1.00 0.00 H new ATOM 0 HB3 LEU A 104 3.136 -7.494 2.812 1.00 0.00 H new ATOM 0 HG LEU A 104 2.829 -5.193 4.228 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.898 -3.312 2.636 1.00 0.00 H new ATOM 0 HD12 LEU A 104 4.517 -3.996 2.918 1.00 0.00 H new ATOM 0 HD13 LEU A 104 3.639 -4.376 1.417 1.00 0.00 H new ATOM 0 HD21 LEU A 104 0.895 -4.749 2.768 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.563 -5.863 1.551 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.055 -6.482 3.140 1.00 0.00 H new ATOM 1637 N GLN A 105 4.528 -5.466 6.009 1.00 0.00 N ATOM 1638 CA GLN A 105 4.809 -4.288 6.825 1.00 0.00 C ATOM 1639 C GLN A 105 6.173 -4.399 7.495 1.00 0.00 C ATOM 1640 O GLN A 105 7.019 -3.516 7.351 1.00 0.00 O ATOM 1641 CB GLN A 105 3.724 -4.103 7.888 1.00 0.00 C ATOM 1642 CG GLN A 105 3.830 -2.788 8.643 1.00 0.00 C ATOM 1643 CD GLN A 105 3.437 -2.921 10.102 1.00 0.00 C ATOM 1644 OE1 GLN A 105 4.000 -3.731 10.837 1.00 0.00 O ATOM 1645 NE2 GLN A 105 2.466 -2.122 10.527 1.00 0.00 N ATOM 0 H GLN A 105 3.823 -6.092 6.400 1.00 0.00 H new ATOM 0 HA GLN A 105 4.816 -3.420 6.166 1.00 0.00 H new ATOM 0 HB2 GLN A 105 2.746 -4.160 7.411 1.00 0.00 H new ATOM 0 HB3 GLN A 105 3.780 -4.927 8.600 1.00 0.00 H new ATOM 0 HG2 GLN A 105 4.853 -2.417 8.578 1.00 0.00 H new ATOM 0 HG3 GLN A 105 3.191 -2.046 8.164 1.00 0.00 H new ATOM 0 HE21 GLN A 105 2.027 -1.465 9.882 1.00 0.00 H new ATOM 0 HE22 GLN A 105 2.159 -2.165 11.499 1.00 0.00 H new ATOM 1654 N GLN A 106 6.383 -5.487 8.231 1.00 0.00 N ATOM 1655 CA GLN A 106 7.648 -5.707 8.925 1.00 0.00 C ATOM 1656 C GLN A 106 8.831 -5.478 7.989 1.00 0.00 C ATOM 1657 O GLN A 106 9.912 -5.083 8.425 1.00 0.00 O ATOM 1658 CB GLN A 106 7.702 -7.123 9.502 1.00 0.00 C ATOM 1659 CG GLN A 106 7.630 -8.216 8.449 1.00 0.00 C ATOM 1660 CD GLN A 106 8.496 -9.413 8.791 1.00 0.00 C ATOM 1661 OE1 GLN A 106 9.089 -9.477 9.867 1.00 0.00 O ATOM 1662 NE2 GLN A 106 8.572 -10.370 7.872 1.00 0.00 N ATOM 0 H GLN A 106 5.695 -6.229 8.362 1.00 0.00 H new ATOM 0 HA GLN A 106 7.712 -4.989 9.743 1.00 0.00 H new ATOM 0 HB2 GLN A 106 8.625 -7.239 10.070 1.00 0.00 H new ATOM 0 HB3 GLN A 106 6.877 -7.252 10.203 1.00 0.00 H new ATOM 0 HG2 GLN A 106 6.595 -8.541 8.338 1.00 0.00 H new ATOM 0 HG3 GLN A 106 7.942 -7.810 7.487 1.00 0.00 H new ATOM 0 HE21 GLN A 106 8.063 -10.275 6.993 1.00 0.00 H new ATOM 0 HE22 GLN A 106 9.139 -11.200 8.045 1.00 0.00 H new ATOM 1671 N ILE A 107 8.618 -5.727 6.700 1.00 0.00 N ATOM 1672 CA ILE A 107 9.658 -5.548 5.709 1.00 0.00 C ATOM 1673 C ILE A 107 10.041 -4.081 5.572 1.00 0.00 C ATOM 1674 O ILE A 107 11.180 -3.711 5.834 1.00 0.00 O ATOM 1675 CB ILE A 107 9.214 -6.129 4.348 1.00 0.00 C ATOM 1676 CG1 ILE A 107 9.850 -7.497 4.162 1.00 0.00 C ATOM 1677 CG2 ILE A 107 9.570 -5.209 3.189 1.00 0.00 C ATOM 1678 CD1 ILE A 107 9.100 -8.392 3.200 1.00 0.00 C ATOM 0 H ILE A 107 7.729 -6.054 6.323 1.00 0.00 H new ATOM 0 HA ILE A 107 10.541 -6.091 6.044 1.00 0.00 H new ATOM 0 HB ILE A 107 8.128 -6.222 4.351 1.00 0.00 H new ATOM 0 HG12 ILE A 107 10.871 -7.367 3.803 1.00 0.00 H new ATOM 0 HG13 ILE A 107 9.914 -7.993 5.131 1.00 0.00 H new ATOM 0 HG21 ILE A 107 9.239 -5.658 2.253 1.00 0.00 H new ATOM 0 HG22 ILE A 107 9.077 -4.246 3.324 1.00 0.00 H new ATOM 0 HG23 ILE A 107 10.650 -5.063 3.159 1.00 0.00 H new ATOM 0 HD11 ILE A 107 9.613 -9.350 3.119 1.00 0.00 H new ATOM 0 HD12 ILE A 107 8.087 -8.553 3.568 1.00 0.00 H new ATOM 0 HD13 ILE A 107 9.059 -7.918 2.219 1.00 0.00 H new ATOM 1690 N ILE A 108 9.095 -3.243 5.168 1.00 0.00 N ATOM 1691 CA ILE A 108 9.378 -1.822 5.016 1.00 0.00 C ATOM 1692 C ILE A 108 9.981 -1.258 6.292 1.00 0.00 C ATOM 1693 O ILE A 108 10.742 -0.292 6.265 1.00 0.00 O ATOM 1694 CB ILE A 108 8.122 -1.012 4.657 1.00 0.00 C ATOM 1695 CG1 ILE A 108 7.252 -1.786 3.667 1.00 0.00 C ATOM 1696 CG2 ILE A 108 8.528 0.335 4.083 1.00 0.00 C ATOM 1697 CD1 ILE A 108 5.986 -1.065 3.282 1.00 0.00 C ATOM 0 H ILE A 108 8.139 -3.517 4.943 1.00 0.00 H new ATOM 0 HA ILE A 108 10.089 -1.733 4.195 1.00 0.00 H new ATOM 0 HB ILE A 108 7.535 -0.845 5.560 1.00 0.00 H new ATOM 0 HG12 ILE A 108 7.833 -1.988 2.767 1.00 0.00 H new ATOM 0 HG13 ILE A 108 6.992 -2.751 4.102 1.00 0.00 H new ATOM 0 HG21 ILE A 108 7.635 0.907 3.830 1.00 0.00 H new ATOM 0 HG22 ILE A 108 9.113 0.884 4.821 1.00 0.00 H new ATOM 0 HG23 ILE A 108 9.128 0.182 3.186 1.00 0.00 H new ATOM 0 HD11 ILE A 108 5.420 -1.674 2.577 1.00 0.00 H new ATOM 0 HD12 ILE A 108 5.384 -0.886 4.173 1.00 0.00 H new ATOM 0 HD13 ILE A 108 6.237 -0.112 2.817 1.00 0.00 H new ATOM 1709 N SER A 109 9.640 -1.885 7.407 1.00 0.00 N ATOM 1710 CA SER A 109 10.146 -1.475 8.704 1.00 0.00 C ATOM 1711 C SER A 109 11.610 -1.878 8.852 1.00 0.00 C ATOM 1712 O SER A 109 12.365 -1.254 9.597 1.00 0.00 O ATOM 1713 CB SER A 109 9.305 -2.106 9.811 1.00 0.00 C ATOM 1714 OG SER A 109 9.165 -1.227 10.914 1.00 0.00 O ATOM 0 H SER A 109 9.009 -2.686 7.437 1.00 0.00 H new ATOM 0 HA SER A 109 10.078 -0.390 8.785 1.00 0.00 H new ATOM 0 HB2 SER A 109 8.320 -2.364 9.421 1.00 0.00 H new ATOM 0 HB3 SER A 109 9.771 -3.035 10.140 1.00 0.00 H new ATOM 0 HG SER A 109 8.621 -1.656 11.607 1.00 0.00 H new ATOM 1720 N ARG A 110 12.004 -2.923 8.129 1.00 0.00 N ATOM 1721 CA ARG A 110 13.376 -3.409 8.166 1.00 0.00 C ATOM 1722 C ARG A 110 14.160 -2.897 6.959 1.00 0.00 C ATOM 1723 O ARG A 110 15.310 -2.476 7.089 1.00 0.00 O ATOM 1724 CB ARG A 110 13.396 -4.944 8.223 1.00 0.00 C ATOM 1725 CG ARG A 110 13.382 -5.627 6.861 1.00 0.00 C ATOM 1726 CD ARG A 110 13.496 -7.137 6.996 1.00 0.00 C ATOM 1727 NE ARG A 110 14.303 -7.723 5.928 1.00 0.00 N ATOM 1728 CZ ARG A 110 14.545 -9.026 5.812 1.00 0.00 C ATOM 1729 NH1 ARG A 110 14.045 -9.882 6.696 1.00 0.00 N ATOM 1730 NH2 ARG A 110 15.288 -9.476 4.811 1.00 0.00 N ATOM 0 H ARG A 110 11.388 -3.450 7.509 1.00 0.00 H new ATOM 0 HA ARG A 110 13.857 -3.027 9.066 1.00 0.00 H new ATOM 0 HB2 ARG A 110 14.285 -5.263 8.766 1.00 0.00 H new ATOM 0 HB3 ARG A 110 12.533 -5.285 8.795 1.00 0.00 H new ATOM 0 HG2 ARG A 110 12.460 -5.376 6.336 1.00 0.00 H new ATOM 0 HG3 ARG A 110 14.207 -5.251 6.255 1.00 0.00 H new ATOM 0 HD2 ARG A 110 13.939 -7.382 7.961 1.00 0.00 H new ATOM 0 HD3 ARG A 110 12.500 -7.579 6.981 1.00 0.00 H new ATOM 0 HE ARG A 110 14.704 -7.096 5.231 1.00 0.00 H new ATOM 0 HH11 ARG A 110 13.472 -9.541 7.468 1.00 0.00 H new ATOM 0 HH12 ARG A 110 14.234 -10.880 6.602 1.00 0.00 H new ATOM 0 HH21 ARG A 110 15.675 -8.823 4.129 1.00 0.00 H new ATOM 0 HH22 ARG A 110 15.473 -10.475 4.722 1.00 0.00 H new ATOM 1744 N TYR A 111 13.531 -2.933 5.784 1.00 0.00 N ATOM 1745 CA TYR A 111 14.175 -2.468 4.561 1.00 0.00 C ATOM 1746 C TYR A 111 14.622 -1.015 4.697 1.00 0.00 C ATOM 1747 O TYR A 111 15.601 -0.597 4.080 1.00 0.00 O ATOM 1748 CB TYR A 111 13.220 -2.612 3.371 1.00 0.00 C ATOM 1749 CG TYR A 111 13.445 -3.863 2.547 1.00 0.00 C ATOM 1750 CD1 TYR A 111 14.065 -4.983 3.091 1.00 0.00 C ATOM 1751 CD2 TYR A 111 13.032 -3.923 1.221 1.00 0.00 C ATOM 1752 CE1 TYR A 111 14.268 -6.124 2.337 1.00 0.00 C ATOM 1753 CE2 TYR A 111 13.230 -5.061 0.462 1.00 0.00 C ATOM 1754 CZ TYR A 111 13.849 -6.157 1.024 1.00 0.00 C ATOM 1755 OH TYR A 111 14.048 -7.292 0.271 1.00 0.00 O ATOM 0 H TYR A 111 12.580 -3.278 5.656 1.00 0.00 H new ATOM 0 HA TYR A 111 15.057 -3.084 4.388 1.00 0.00 H new ATOM 0 HB2 TYR A 111 12.194 -2.612 3.740 1.00 0.00 H new ATOM 0 HB3 TYR A 111 13.327 -1.740 2.725 1.00 0.00 H new ATOM 0 HD1 TYR A 111 14.393 -4.961 4.120 1.00 0.00 H new ATOM 0 HD2 TYR A 111 12.548 -3.066 0.776 1.00 0.00 H new ATOM 0 HE1 TYR A 111 14.752 -6.985 2.774 1.00 0.00 H new ATOM 0 HE2 TYR A 111 12.901 -5.091 -0.566 1.00 0.00 H new ATOM 0 HH TYR A 111 14.517 -7.057 -0.557 1.00 0.00 H new ATOM 1765 N LYS A 112 13.897 -0.251 5.505 1.00 0.00 N ATOM 1766 CA LYS A 112 14.215 1.154 5.724 1.00 0.00 C ATOM 1767 C LYS A 112 15.555 1.312 6.434 1.00 0.00 C ATOM 1768 O LYS A 112 16.466 1.967 5.926 1.00 0.00 O ATOM 1769 CB LYS A 112 13.110 1.807 6.550 1.00 0.00 C ATOM 1770 CG LYS A 112 11.870 2.141 5.744 1.00 0.00 C ATOM 1771 CD LYS A 112 11.852 3.603 5.346 1.00 0.00 C ATOM 1772 CE LYS A 112 13.045 3.956 4.472 1.00 0.00 C ATOM 1773 NZ LYS A 112 13.174 5.427 4.272 1.00 0.00 N ATOM 0 H LYS A 112 13.082 -0.583 6.021 1.00 0.00 H new ATOM 0 HA LYS A 112 14.287 1.645 4.753 1.00 0.00 H new ATOM 0 HB2 LYS A 112 12.834 1.139 7.366 1.00 0.00 H new ATOM 0 HB3 LYS A 112 13.497 2.720 7.002 1.00 0.00 H new ATOM 0 HG2 LYS A 112 11.835 1.518 4.850 1.00 0.00 H new ATOM 0 HG3 LYS A 112 10.980 1.910 6.329 1.00 0.00 H new ATOM 0 HD2 LYS A 112 10.929 3.824 4.810 1.00 0.00 H new ATOM 0 HD3 LYS A 112 11.858 4.225 6.241 1.00 0.00 H new ATOM 0 HE2 LYS A 112 13.956 3.571 4.930 1.00 0.00 H new ATOM 0 HE3 LYS A 112 12.943 3.466 3.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 14.174 5.701 4.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 12.815 5.682 3.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 12.623 5.926 4.999 1.00 0.00 H new ATOM 1787 N ASP A 113 15.662 0.714 7.615 1.00 0.00 N ATOM 1788 CA ASP A 113 16.885 0.789 8.409 1.00 0.00 C ATOM 1789 C ASP A 113 18.012 -0.048 7.812 1.00 0.00 C ATOM 1790 O ASP A 113 19.115 -0.090 8.357 1.00 0.00 O ATOM 1791 CB ASP A 113 16.611 0.340 9.845 1.00 0.00 C ATOM 1792 CG ASP A 113 17.818 0.511 10.746 1.00 0.00 C ATOM 1793 OD1 ASP A 113 18.626 -0.437 10.842 1.00 0.00 O ATOM 1794 OD2 ASP A 113 17.956 1.593 11.355 1.00 0.00 O ATOM 0 H ASP A 113 14.915 0.170 8.046 1.00 0.00 H new ATOM 0 HA ASP A 113 17.209 1.830 8.405 1.00 0.00 H new ATOM 0 HB2 ASP A 113 15.776 0.913 10.249 1.00 0.00 H new ATOM 0 HB3 ASP A 113 16.308 -0.707 9.844 1.00 0.00 H new ATOM 1799 N ALA A 114 17.735 -0.715 6.702 1.00 0.00 N ATOM 1800 CA ALA A 114 18.732 -1.549 6.052 1.00 0.00 C ATOM 1801 C ALA A 114 19.094 -1.010 4.672 1.00 0.00 C ATOM 1802 O ALA A 114 20.220 -1.180 4.203 1.00 0.00 O ATOM 1803 CB ALA A 114 18.210 -2.967 5.953 1.00 0.00 C ATOM 0 H ALA A 114 16.829 -0.695 6.234 1.00 0.00 H new ATOM 0 HA ALA A 114 19.642 -1.539 6.652 1.00 0.00 H new ATOM 0 HB1 ALA A 114 18.955 -3.596 5.466 1.00 0.00 H new ATOM 0 HB2 ALA A 114 18.009 -3.351 6.953 1.00 0.00 H new ATOM 0 HB3 ALA A 114 17.290 -2.976 5.369 1.00 0.00 H new ATOM 1809 N ASP A 115 18.133 -0.358 4.026 1.00 0.00 N ATOM 1810 CA ASP A 115 18.348 0.208 2.699 1.00 0.00 C ATOM 1811 C ASP A 115 19.492 1.217 2.717 1.00 0.00 C ATOM 1812 O ASP A 115 19.824 1.753 1.638 1.00 0.00 O ATOM 1813 CB ASP A 115 17.068 0.879 2.197 1.00 0.00 C ATOM 1814 CG ASP A 115 16.230 -0.046 1.336 1.00 0.00 C ATOM 1815 OD1 ASP A 115 16.178 -1.256 1.642 1.00 0.00 O ATOM 1816 OD2 ASP A 115 15.627 0.438 0.355 1.00 0.00 O ATOM 1817 OXT ASP A 115 20.047 1.463 3.809 1.00 0.00 O ATOM 0 H ASP A 115 17.196 -0.208 4.401 1.00 0.00 H new ATOM 0 HA ASP A 115 18.615 -0.604 2.022 1.00 0.00 H new ATOM 0 HB2 ASP A 115 16.477 1.212 3.050 1.00 0.00 H new ATOM 0 HB3 ASP A 115 17.328 1.768 1.623 1.00 0.00 H new TER 1822 ASP A 115 ATOM 1823 N PRO B 59 -24.717 -6.313 -4.905 1.00 0.00 N ATOM 1824 CA PRO B 59 -25.023 -5.308 -5.959 1.00 0.00 C ATOM 1825 C PRO B 59 -23.806 -4.448 -6.295 1.00 0.00 C ATOM 1826 O PRO B 59 -23.416 -4.332 -7.457 1.00 0.00 O ATOM 1827 CB PRO B 59 -26.167 -4.436 -5.447 1.00 0.00 C ATOM 1828 CG PRO B 59 -26.356 -4.870 -4.032 1.00 0.00 C ATOM 1829 CD PRO B 59 -25.836 -6.285 -3.948 1.00 0.00 C ATOM 0 HA PRO B 59 -25.306 -5.820 -6.879 1.00 0.00 H new ATOM 0 HB2 PRO B 59 -25.918 -3.377 -5.508 1.00 0.00 H new ATOM 0 HB3 PRO B 59 -27.074 -4.585 -6.033 1.00 0.00 H new ATOM 0 HG2 PRO B 59 -25.814 -4.216 -3.349 1.00 0.00 H new ATOM 0 HG3 PRO B 59 -27.408 -4.825 -3.749 1.00 0.00 H new ATOM 0 HD2 PRO B 59 -25.504 -6.529 -2.939 1.00 0.00 H new ATOM 0 HD3 PRO B 59 -26.606 -7.009 -4.214 1.00 0.00 H new ATOM 1837 N GLY B 60 -23.210 -3.848 -5.269 1.00 0.00 N ATOM 1838 CA GLY B 60 -22.045 -3.008 -5.475 1.00 0.00 C ATOM 1839 C GLY B 60 -21.315 -2.701 -4.182 1.00 0.00 C ATOM 1840 O GLY B 60 -21.793 -1.916 -3.363 1.00 0.00 O ATOM 0 H GLY B 60 -23.514 -3.929 -4.299 1.00 0.00 H new ATOM 0 HA2 GLY B 60 -21.362 -3.503 -6.166 1.00 0.00 H new ATOM 0 HA3 GLY B 60 -22.353 -2.074 -5.945 1.00 0.00 H new ATOM 1844 N GLU B 61 -20.155 -3.322 -3.998 1.00 0.00 N ATOM 1845 CA GLU B 61 -19.358 -3.112 -2.796 1.00 0.00 C ATOM 1846 C GLU B 61 -18.344 -1.992 -3.004 1.00 0.00 C ATOM 1847 O GLU B 61 -17.708 -1.904 -4.054 1.00 0.00 O ATOM 1848 CB GLU B 61 -18.636 -4.403 -2.404 1.00 0.00 C ATOM 1849 CG GLU B 61 -18.551 -4.621 -0.902 1.00 0.00 C ATOM 1850 CD GLU B 61 -18.813 -6.061 -0.506 1.00 0.00 C ATOM 1851 OE1 GLU B 61 -17.976 -6.929 -0.835 1.00 0.00 O ATOM 1852 OE2 GLU B 61 -19.854 -6.321 0.132 1.00 0.00 O ATOM 0 H GLU B 61 -19.746 -3.975 -4.666 1.00 0.00 H new ATOM 0 HA GLU B 61 -20.032 -2.822 -1.990 1.00 0.00 H new ATOM 0 HB2 GLU B 61 -19.152 -5.250 -2.857 1.00 0.00 H new ATOM 0 HB3 GLU B 61 -17.628 -4.386 -2.818 1.00 0.00 H new ATOM 0 HG2 GLU B 61 -17.562 -4.326 -0.551 1.00 0.00 H new ATOM 0 HG3 GLU B 61 -19.273 -3.974 -0.403 1.00 0.00 H new ATOM 1859 N GLU B 62 -18.198 -1.137 -1.996 1.00 0.00 N ATOM 1860 CA GLU B 62 -17.261 -0.022 -2.069 1.00 0.00 C ATOM 1861 C GLU B 62 -17.247 0.763 -0.761 1.00 0.00 C ATOM 1862 O GLU B 62 -16.230 0.818 -0.069 1.00 0.00 O ATOM 1863 CB GLU B 62 -17.629 0.906 -3.229 1.00 0.00 C ATOM 1864 CG GLU B 62 -16.684 2.086 -3.389 1.00 0.00 C ATOM 1865 CD GLU B 62 -15.526 1.784 -4.320 1.00 0.00 C ATOM 1866 OE1 GLU B 62 -15.724 1.015 -5.284 1.00 0.00 O ATOM 1867 OE2 GLU B 62 -14.421 2.317 -4.085 1.00 0.00 O ATOM 0 H GLU B 62 -18.717 -1.195 -1.120 1.00 0.00 H new ATOM 0 HA GLU B 62 -16.264 -0.429 -2.240 1.00 0.00 H new ATOM 0 HB2 GLU B 62 -17.638 0.331 -4.155 1.00 0.00 H new ATOM 0 HB3 GLU B 62 -18.641 1.280 -3.077 1.00 0.00 H new ATOM 0 HG2 GLU B 62 -17.239 2.942 -3.772 1.00 0.00 H new ATOM 0 HG3 GLU B 62 -16.295 2.370 -2.411 1.00 0.00 H new ATOM 1874 N GLU B 63 -18.382 1.369 -0.429 1.00 0.00 N ATOM 1875 CA GLU B 63 -18.501 2.153 0.795 1.00 0.00 C ATOM 1876 C GLU B 63 -17.496 3.299 0.811 1.00 0.00 C ATOM 1877 O GLU B 63 -17.061 3.739 1.875 1.00 0.00 O ATOM 1878 CB GLU B 63 -18.290 1.265 2.021 1.00 0.00 C ATOM 1879 CG GLU B 63 -19.563 0.601 2.517 1.00 0.00 C ATOM 1880 CD GLU B 63 -19.325 -0.803 3.037 1.00 0.00 C ATOM 1881 OE1 GLU B 63 -18.545 -1.546 2.405 1.00 0.00 O ATOM 1882 OE2 GLU B 63 -19.918 -1.160 4.077 1.00 0.00 O ATOM 0 H GLU B 63 -19.233 1.332 -0.990 1.00 0.00 H new ATOM 0 HA GLU B 63 -19.507 2.573 0.825 1.00 0.00 H new ATOM 0 HB2 GLU B 63 -17.558 0.494 1.779 1.00 0.00 H new ATOM 0 HB3 GLU B 63 -17.866 1.866 2.826 1.00 0.00 H new ATOM 0 HG2 GLU B 63 -20.000 1.209 3.309 1.00 0.00 H new ATOM 0 HG3 GLU B 63 -20.290 0.565 1.705 1.00 0.00 H new ATOM 1889 N ASP B 64 -17.132 3.779 -0.373 1.00 0.00 N ATOM 1890 CA ASP B 64 -16.179 4.876 -0.488 1.00 0.00 C ATOM 1891 C ASP B 64 -16.808 6.188 -0.029 1.00 0.00 C ATOM 1892 O ASP B 64 -16.965 7.123 -0.815 1.00 0.00 O ATOM 1893 CB ASP B 64 -15.689 5.005 -1.931 1.00 0.00 C ATOM 1894 CG ASP B 64 -14.620 6.068 -2.086 1.00 0.00 C ATOM 1895 OD1 ASP B 64 -13.794 6.219 -1.161 1.00 0.00 O ATOM 1896 OD2 ASP B 64 -14.609 6.751 -3.132 1.00 0.00 O ATOM 0 H ASP B 64 -17.481 3.427 -1.264 1.00 0.00 H new ATOM 0 HA ASP B 64 -15.327 4.657 0.156 1.00 0.00 H new ATOM 0 HB2 ASP B 64 -15.294 4.045 -2.265 1.00 0.00 H new ATOM 0 HB3 ASP B 64 -16.533 5.245 -2.578 1.00 0.00 H new ATOM 1901 N ASP B 65 -17.168 6.251 1.249 1.00 0.00 N ATOM 1902 CA ASP B 65 -17.778 7.446 1.810 1.00 0.00 C ATOM 1903 C ASP B 65 -17.624 7.479 3.328 1.00 0.00 C ATOM 1904 O ASP B 65 -18.593 7.299 4.065 1.00 0.00 O ATOM 1905 CB ASP B 65 -19.258 7.517 1.430 1.00 0.00 C ATOM 1906 CG ASP B 65 -19.741 8.942 1.248 1.00 0.00 C ATOM 1907 OD1 ASP B 65 -20.077 9.589 2.262 1.00 0.00 O ATOM 1908 OD2 ASP B 65 -19.783 9.411 0.091 1.00 0.00 O ATOM 0 H ASP B 65 -17.047 5.487 1.914 1.00 0.00 H new ATOM 0 HA ASP B 65 -17.264 8.313 1.395 1.00 0.00 H new ATOM 0 HB2 ASP B 65 -19.420 6.961 0.507 1.00 0.00 H new ATOM 0 HB3 ASP B 65 -19.852 7.031 2.204 1.00 0.00 H new ATOM 1913 N GLU B 66 -16.395 7.712 3.785 1.00 0.00 N ATOM 1914 CA GLU B 66 -16.097 7.774 5.215 1.00 0.00 C ATOM 1915 C GLU B 66 -16.764 6.631 5.978 1.00 0.00 C ATOM 1916 O GLU B 66 -17.294 6.829 7.072 1.00 0.00 O ATOM 1917 CB GLU B 66 -16.542 9.121 5.793 1.00 0.00 C ATOM 1918 CG GLU B 66 -18.048 9.325 5.783 1.00 0.00 C ATOM 1919 CD GLU B 66 -18.500 10.375 6.779 1.00 0.00 C ATOM 1920 OE1 GLU B 66 -18.293 11.577 6.510 1.00 0.00 O ATOM 1921 OE2 GLU B 66 -19.063 9.995 7.827 1.00 0.00 O ATOM 0 H GLU B 66 -15.586 7.862 3.182 1.00 0.00 H new ATOM 0 HA GLU B 66 -15.018 7.671 5.332 1.00 0.00 H new ATOM 0 HB2 GLU B 66 -16.180 9.203 6.818 1.00 0.00 H new ATOM 0 HB3 GLU B 66 -16.072 9.923 5.224 1.00 0.00 H new ATOM 0 HG2 GLU B 66 -18.365 9.619 4.782 1.00 0.00 H new ATOM 0 HG3 GLU B 66 -18.541 8.379 6.009 1.00 0.00 H new ATOM 1928 N ARG B 67 -16.732 5.436 5.397 1.00 0.00 N ATOM 1929 CA ARG B 67 -17.327 4.268 6.024 1.00 0.00 C ATOM 1930 C ARG B 67 -16.323 3.132 6.121 1.00 0.00 C ATOM 1931 O ARG B 67 -15.952 2.704 7.212 1.00 0.00 O ATOM 1932 CB ARG B 67 -18.566 3.814 5.249 1.00 0.00 C ATOM 1933 CG ARG B 67 -19.802 4.652 5.533 1.00 0.00 C ATOM 1934 CD ARG B 67 -20.136 4.669 7.015 1.00 0.00 C ATOM 1935 NE ARG B 67 -21.532 5.024 7.258 1.00 0.00 N ATOM 1936 CZ ARG B 67 -21.996 5.444 8.432 1.00 0.00 C ATOM 1937 NH1 ARG B 67 -21.181 5.564 9.473 1.00 0.00 N ATOM 1938 NH2 ARG B 67 -23.280 5.747 8.567 1.00 0.00 N ATOM 0 H ARG B 67 -16.299 5.254 4.492 1.00 0.00 H new ATOM 0 HA ARG B 67 -17.628 4.546 7.034 1.00 0.00 H new ATOM 0 HB2 ARG B 67 -18.350 3.850 4.181 1.00 0.00 H new ATOM 0 HB3 ARG B 67 -18.778 2.774 5.496 1.00 0.00 H new ATOM 0 HG2 ARG B 67 -19.639 5.672 5.184 1.00 0.00 H new ATOM 0 HG3 ARG B 67 -20.649 4.255 4.973 1.00 0.00 H new ATOM 0 HD2 ARG B 67 -19.932 3.688 7.444 1.00 0.00 H new ATOM 0 HD3 ARG B 67 -19.487 5.381 7.525 1.00 0.00 H new ATOM 0 HE ARG B 67 -22.190 4.945 6.482 1.00 0.00 H new ATOM 0 HH11 ARG B 67 -20.192 5.334 9.376 1.00 0.00 H new ATOM 0 HH12 ARG B 67 -21.544 5.887 10.370 1.00 0.00 H new ATOM 0 HH21 ARG B 67 -23.911 5.658 7.771 1.00 0.00 H new ATOM 0 HH22 ARG B 67 -23.636 6.069 9.467 1.00 0.00 H new ATOM 1952 N GLY B 68 -15.885 2.658 4.971 1.00 0.00 N ATOM 1953 CA GLY B 68 -14.918 1.586 4.922 1.00 0.00 C ATOM 1954 C GLY B 68 -13.605 2.042 4.319 1.00 0.00 C ATOM 1955 O GLY B 68 -12.878 1.252 3.717 1.00 0.00 O ATOM 0 H GLY B 68 -16.186 3.001 4.059 1.00 0.00 H new ATOM 0 HA2 GLY B 68 -14.744 1.207 5.929 1.00 0.00 H new ATOM 0 HA3 GLY B 68 -15.320 0.760 4.336 1.00 0.00 H new ATOM 1959 N ALA B 69 -13.309 3.326 4.486 1.00 0.00 N ATOM 1960 CA ALA B 69 -12.084 3.913 3.965 1.00 0.00 C ATOM 1961 C ALA B 69 -11.690 5.134 4.787 1.00 0.00 C ATOM 1962 O ALA B 69 -11.416 6.203 4.241 1.00 0.00 O ATOM 1963 CB ALA B 69 -12.260 4.290 2.501 1.00 0.00 C ATOM 0 H ALA B 69 -13.909 3.984 4.983 1.00 0.00 H new ATOM 0 HA ALA B 69 -11.285 3.175 4.039 1.00 0.00 H new ATOM 0 HB1 ALA B 69 -11.336 4.728 2.124 1.00 0.00 H new ATOM 0 HB2 ALA B 69 -12.501 3.398 1.922 1.00 0.00 H new ATOM 0 HB3 ALA B 69 -13.069 5.014 2.406 1.00 0.00 H new ATOM 1969 N ASP B 70 -11.678 4.971 6.107 1.00 0.00 N ATOM 1970 CA ASP B 70 -11.336 6.067 7.003 1.00 0.00 C ATOM 1971 C ASP B 70 -10.748 5.557 8.319 1.00 0.00 C ATOM 1972 O ASP B 70 -11.133 6.008 9.398 1.00 0.00 O ATOM 1973 CB ASP B 70 -12.580 6.911 7.278 1.00 0.00 C ATOM 1974 CG ASP B 70 -12.244 8.352 7.607 1.00 0.00 C ATOM 1975 OD1 ASP B 70 -11.656 9.037 6.744 1.00 0.00 O ATOM 1976 OD2 ASP B 70 -12.570 8.797 8.728 1.00 0.00 O ATOM 0 H ASP B 70 -11.900 4.093 6.577 1.00 0.00 H new ATOM 0 HA ASP B 70 -10.576 6.678 6.516 1.00 0.00 H new ATOM 0 HB2 ASP B 70 -13.233 6.884 6.406 1.00 0.00 H new ATOM 0 HB3 ASP B 70 -13.136 6.473 8.107 1.00 0.00 H new ATOM 1981 N ALA B 71 -9.807 4.623 8.224 1.00 0.00 N ATOM 1982 CA ALA B 71 -9.161 4.063 9.409 1.00 0.00 C ATOM 1983 C ALA B 71 -7.855 3.369 9.042 1.00 0.00 C ATOM 1984 O ALA B 71 -7.626 2.220 9.418 1.00 0.00 O ATOM 1985 CB ALA B 71 -10.096 3.093 10.121 1.00 0.00 C ATOM 0 H ALA B 71 -9.474 4.237 7.340 1.00 0.00 H new ATOM 0 HA ALA B 71 -8.931 4.885 10.087 1.00 0.00 H new ATOM 0 HB1 ALA B 71 -9.597 2.686 11.001 1.00 0.00 H new ATOM 0 HB2 ALA B 71 -11.001 3.618 10.427 1.00 0.00 H new ATOM 0 HB3 ALA B 71 -10.360 2.280 9.445 1.00 0.00 H new ATOM 1991 N THR B 72 -7.001 4.070 8.300 1.00 0.00 N ATOM 1992 CA THR B 72 -5.721 3.506 7.885 1.00 0.00 C ATOM 1993 C THR B 72 -4.582 4.523 7.968 1.00 0.00 C ATOM 1994 O THR B 72 -3.413 4.142 8.023 1.00 0.00 O ATOM 1995 CB THR B 72 -5.814 2.959 6.466 1.00 0.00 C ATOM 1996 OG1 THR B 72 -6.817 3.636 5.731 1.00 0.00 O ATOM 1997 CG2 THR B 72 -6.116 1.480 6.413 1.00 0.00 C ATOM 0 H THR B 72 -7.171 5.022 7.976 1.00 0.00 H new ATOM 0 HA THR B 72 -5.495 2.696 8.578 1.00 0.00 H new ATOM 0 HB THR B 72 -4.830 3.124 6.028 1.00 0.00 H new ATOM 0 HG1 THR B 72 -6.429 4.424 5.297 1.00 0.00 H new ATOM 0 HG21 THR B 72 -6.168 1.156 5.373 1.00 0.00 H new ATOM 0 HG22 THR B 72 -5.327 0.929 6.925 1.00 0.00 H new ATOM 0 HG23 THR B 72 -7.071 1.286 6.902 1.00 0.00 H new ATOM 2005 N TRP B 73 -4.911 5.811 7.964 1.00 0.00 N ATOM 2006 CA TRP B 73 -3.883 6.848 8.026 1.00 0.00 C ATOM 2007 C TRP B 73 -3.615 7.295 9.463 1.00 0.00 C ATOM 2008 O TRP B 73 -3.255 8.449 9.696 1.00 0.00 O ATOM 2009 CB TRP B 73 -4.266 8.076 7.189 1.00 0.00 C ATOM 2010 CG TRP B 73 -5.188 7.798 6.039 1.00 0.00 C ATOM 2011 CD1 TRP B 73 -6.165 8.621 5.571 1.00 0.00 C ATOM 2012 CD2 TRP B 73 -5.220 6.632 5.212 1.00 0.00 C ATOM 2013 NE1 TRP B 73 -6.805 8.042 4.505 1.00 0.00 N ATOM 2014 CE2 TRP B 73 -6.242 6.818 4.267 1.00 0.00 C ATOM 2015 CE3 TRP B 73 -4.486 5.452 5.179 1.00 0.00 C ATOM 2016 CZ2 TRP B 73 -6.543 5.865 3.302 1.00 0.00 C ATOM 2017 CZ3 TRP B 73 -4.786 4.503 4.226 1.00 0.00 C ATOM 2018 CH2 TRP B 73 -5.803 4.711 3.299 1.00 0.00 C ATOM 0 H TRP B 73 -5.868 6.160 7.919 1.00 0.00 H new ATOM 0 HA TRP B 73 -2.977 6.402 7.616 1.00 0.00 H new ATOM 0 HB2 TRP B 73 -4.737 8.810 7.843 1.00 0.00 H new ATOM 0 HB3 TRP B 73 -3.355 8.532 6.802 1.00 0.00 H new ATOM 0 HD1 TRP B 73 -6.403 9.592 5.980 1.00 0.00 H new ATOM 0 HE1 TRP B 73 -7.574 8.456 3.977 1.00 0.00 H new ATOM 0 HE3 TRP B 73 -3.692 5.281 5.890 1.00 0.00 H new ATOM 0 HZ2 TRP B 73 -7.331 6.027 2.581 1.00 0.00 H new ATOM 0 HZ3 TRP B 73 -4.222 3.582 4.198 1.00 0.00 H new ATOM 0 HH2 TRP B 73 -6.013 3.949 2.563 1.00 0.00 H new ATOM 2029 N ASP B 74 -3.788 6.395 10.427 1.00 0.00 N ATOM 2030 CA ASP B 74 -3.553 6.750 11.825 1.00 0.00 C ATOM 2031 C ASP B 74 -3.105 5.556 12.669 1.00 0.00 C ATOM 2032 O ASP B 74 -3.057 5.646 13.895 1.00 0.00 O ATOM 2033 CB ASP B 74 -4.814 7.367 12.431 1.00 0.00 C ATOM 2034 CG ASP B 74 -4.506 8.285 13.598 1.00 0.00 C ATOM 2035 OD1 ASP B 74 -4.188 7.770 14.690 1.00 0.00 O ATOM 2036 OD2 ASP B 74 -4.582 9.518 13.419 1.00 0.00 O ATOM 0 H ASP B 74 -4.085 5.431 10.272 1.00 0.00 H new ATOM 0 HA ASP B 74 -2.741 7.477 11.835 1.00 0.00 H new ATOM 0 HB2 ASP B 74 -5.346 7.927 11.662 1.00 0.00 H new ATOM 0 HB3 ASP B 74 -5.480 6.571 12.764 1.00 0.00 H new ATOM 2041 N LEU B 75 -2.761 4.447 12.022 1.00 0.00 N ATOM 2042 CA LEU B 75 -2.304 3.264 12.747 1.00 0.00 C ATOM 2043 C LEU B 75 -0.929 2.823 12.266 1.00 0.00 C ATOM 2044 O LEU B 75 -0.219 2.102 12.968 1.00 0.00 O ATOM 2045 CB LEU B 75 -3.304 2.107 12.622 1.00 0.00 C ATOM 2046 CG LEU B 75 -3.808 1.798 11.207 1.00 0.00 C ATOM 2047 CD1 LEU B 75 -4.723 2.905 10.711 1.00 0.00 C ATOM 2048 CD2 LEU B 75 -2.645 1.602 10.249 1.00 0.00 C ATOM 0 H LEU B 75 -2.789 4.341 11.008 1.00 0.00 H new ATOM 0 HA LEU B 75 -2.232 3.539 13.799 1.00 0.00 H new ATOM 0 HB2 LEU B 75 -2.839 1.207 13.024 1.00 0.00 H new ATOM 0 HB3 LEU B 75 -4.166 2.329 13.252 1.00 0.00 H new ATOM 0 HG LEU B 75 -4.378 0.870 11.247 1.00 0.00 H new ATOM 0 HD11 LEU B 75 -5.070 2.667 9.705 1.00 0.00 H new ATOM 0 HD12 LEU B 75 -5.580 2.995 11.379 1.00 0.00 H new ATOM 0 HD13 LEU B 75 -4.176 3.848 10.693 1.00 0.00 H new ATOM 0 HD21 LEU B 75 -3.028 1.384 9.252 1.00 0.00 H new ATOM 0 HD22 LEU B 75 -2.044 2.510 10.216 1.00 0.00 H new ATOM 0 HD23 LEU B 75 -2.028 0.771 10.591 1.00 0.00 H new ATOM 2060 N ASP B 76 -0.559 3.251 11.065 1.00 0.00 N ATOM 2061 CA ASP B 76 0.727 2.888 10.500 1.00 0.00 C ATOM 2062 C ASP B 76 1.700 4.066 10.569 1.00 0.00 C ATOM 2063 O ASP B 76 1.567 4.934 11.431 1.00 0.00 O ATOM 2064 CB ASP B 76 0.552 2.403 9.059 1.00 0.00 C ATOM 2065 CG ASP B 76 1.249 1.079 8.815 1.00 0.00 C ATOM 2066 OD1 ASP B 76 2.486 1.083 8.644 1.00 0.00 O ATOM 2067 OD2 ASP B 76 0.558 0.039 8.796 1.00 0.00 O ATOM 0 H ASP B 76 -1.132 3.848 10.468 1.00 0.00 H new ATOM 0 HA ASP B 76 1.149 2.073 11.087 1.00 0.00 H new ATOM 0 HB2 ASP B 76 -0.510 2.299 8.838 1.00 0.00 H new ATOM 0 HB3 ASP B 76 0.948 3.153 8.374 1.00 0.00 H new ATOM 2072 N LEU B 77 2.678 4.095 9.664 1.00 0.00 N ATOM 2073 CA LEU B 77 3.662 5.169 9.637 1.00 0.00 C ATOM 2074 C LEU B 77 4.524 5.153 10.895 1.00 0.00 C ATOM 2075 O LEU B 77 4.286 5.909 11.837 1.00 0.00 O ATOM 2076 CB LEU B 77 2.969 6.525 9.479 1.00 0.00 C ATOM 2077 CG LEU B 77 2.830 6.998 8.031 1.00 0.00 C ATOM 2078 CD1 LEU B 77 1.379 6.935 7.579 1.00 0.00 C ATOM 2079 CD2 LEU B 77 3.380 8.406 7.877 1.00 0.00 C ATOM 0 H LEU B 77 2.807 3.386 8.942 1.00 0.00 H new ATOM 0 HA LEU B 77 4.315 5.009 8.779 1.00 0.00 H new ATOM 0 HB2 LEU B 77 1.977 6.467 9.926 1.00 0.00 H new ATOM 0 HB3 LEU B 77 3.528 7.273 10.041 1.00 0.00 H new ATOM 0 HG LEU B 77 3.411 6.330 7.395 1.00 0.00 H new ATOM 0 HD11 LEU B 77 1.304 7.276 6.546 1.00 0.00 H new ATOM 0 HD12 LEU B 77 1.020 5.908 7.649 1.00 0.00 H new ATOM 0 HD13 LEU B 77 0.771 7.576 8.217 1.00 0.00 H new ATOM 0 HD21 LEU B 77 3.273 8.727 6.841 1.00 0.00 H new ATOM 0 HD22 LEU B 77 2.828 9.085 8.526 1.00 0.00 H new ATOM 0 HD23 LEU B 77 4.434 8.417 8.153 1.00 0.00 H new ATOM 2091 N LEU B 78 5.530 4.283 10.896 1.00 0.00 N ATOM 2092 CA LEU B 78 6.440 4.154 12.028 1.00 0.00 C ATOM 2093 C LEU B 78 7.502 3.096 11.741 1.00 0.00 C ATOM 2094 O LEU B 78 7.804 2.255 12.589 1.00 0.00 O ATOM 2095 CB LEU B 78 5.664 3.789 13.294 1.00 0.00 C ATOM 2096 CG LEU B 78 4.627 2.679 13.121 1.00 0.00 C ATOM 2097 CD1 LEU B 78 5.294 1.313 13.172 1.00 0.00 C ATOM 2098 CD2 LEU B 78 3.548 2.787 14.188 1.00 0.00 C ATOM 0 H LEU B 78 5.736 3.654 10.120 1.00 0.00 H new ATOM 0 HA LEU B 78 6.935 5.113 12.183 1.00 0.00 H new ATOM 0 HB2 LEU B 78 6.375 3.484 14.062 1.00 0.00 H new ATOM 0 HB3 LEU B 78 5.160 4.682 13.663 1.00 0.00 H new ATOM 0 HG LEU B 78 4.158 2.795 12.144 1.00 0.00 H new ATOM 0 HD11 LEU B 78 4.541 0.535 13.047 1.00 0.00 H new ATOM 0 HD12 LEU B 78 6.030 1.237 12.371 1.00 0.00 H new ATOM 0 HD13 LEU B 78 5.790 1.186 14.134 1.00 0.00 H new ATOM 0 HD21 LEU B 78 2.818 1.989 14.050 1.00 0.00 H new ATOM 0 HD22 LEU B 78 4.002 2.697 15.175 1.00 0.00 H new ATOM 0 HD23 LEU B 78 3.050 3.753 14.105 1.00 0.00 H new ATOM 2110 N LEU B 79 8.060 3.142 10.535 1.00 0.00 N ATOM 2111 CA LEU B 79 9.082 2.188 10.123 1.00 0.00 C ATOM 2112 C LEU B 79 10.385 2.412 10.882 1.00 0.00 C ATOM 2113 O LEU B 79 10.801 3.549 11.103 1.00 0.00 O ATOM 2114 CB LEU B 79 9.331 2.302 8.619 1.00 0.00 C ATOM 2115 CG LEU B 79 8.073 2.253 7.751 1.00 0.00 C ATOM 2116 CD1 LEU B 79 8.347 2.850 6.380 1.00 0.00 C ATOM 2117 CD2 LEU B 79 7.571 0.823 7.622 1.00 0.00 C ATOM 0 H LEU B 79 7.820 3.833 9.824 1.00 0.00 H new ATOM 0 HA LEU B 79 8.720 1.186 10.355 1.00 0.00 H new ATOM 0 HB2 LEU B 79 9.854 3.238 8.422 1.00 0.00 H new ATOM 0 HB3 LEU B 79 9.997 1.495 8.314 1.00 0.00 H new ATOM 0 HG LEU B 79 7.297 2.847 8.234 1.00 0.00 H new ATOM 0 HD11 LEU B 79 7.440 2.806 5.776 1.00 0.00 H new ATOM 0 HD12 LEU B 79 8.659 3.888 6.491 1.00 0.00 H new ATOM 0 HD13 LEU B 79 9.138 2.284 5.888 1.00 0.00 H new ATOM 0 HD21 LEU B 79 6.675 0.806 7.001 1.00 0.00 H new ATOM 0 HD22 LEU B 79 8.343 0.206 7.162 1.00 0.00 H new ATOM 0 HD23 LEU B 79 7.334 0.430 8.611 1.00 0.00 H new ATOM 2129 N THR B 80 11.027 1.315 11.275 1.00 0.00 N ATOM 2130 CA THR B 80 12.288 1.383 12.006 1.00 0.00 C ATOM 2131 C THR B 80 12.158 2.265 13.246 1.00 0.00 C ATOM 2132 O THR B 80 12.847 3.277 13.378 1.00 0.00 O ATOM 2133 CB THR B 80 13.398 1.916 11.096 1.00 0.00 C ATOM 2134 OG1 THR B 80 13.279 3.317 10.927 1.00 0.00 O ATOM 2135 CG2 THR B 80 13.400 1.286 9.719 1.00 0.00 C ATOM 0 H THR B 80 10.694 0.367 11.099 1.00 0.00 H new ATOM 0 HA THR B 80 12.545 0.375 12.331 1.00 0.00 H new ATOM 0 HB THR B 80 14.330 1.656 11.597 1.00 0.00 H new ATOM 0 HG1 THR B 80 12.523 3.647 11.456 1.00 0.00 H new ATOM 0 HG21 THR B 80 14.211 1.709 9.127 1.00 0.00 H new ATOM 0 HG22 THR B 80 13.542 0.209 9.812 1.00 0.00 H new ATOM 0 HG23 THR B 80 12.449 1.486 9.226 1.00 0.00 H new ATOM 2143 N ASN B 81 11.269 1.872 14.153 1.00 0.00 N ATOM 2144 CA ASN B 81 11.048 2.624 15.382 1.00 0.00 C ATOM 2145 C ASN B 81 10.785 1.686 16.555 1.00 0.00 C ATOM 2146 O ASN B 81 11.483 1.732 17.568 1.00 0.00 O ATOM 2147 CB ASN B 81 9.872 3.587 15.210 1.00 0.00 C ATOM 2148 CG ASN B 81 10.309 4.951 14.714 1.00 0.00 C ATOM 2149 OD1 ASN B 81 10.952 5.711 15.437 1.00 0.00 O ATOM 2150 ND2 ASN B 81 9.961 5.269 13.472 1.00 0.00 N ATOM 0 H ASN B 81 10.690 1.037 14.059 1.00 0.00 H new ATOM 0 HA ASN B 81 11.950 3.197 15.595 1.00 0.00 H new ATOM 0 HB2 ASN B 81 9.156 3.160 14.507 1.00 0.00 H new ATOM 0 HB3 ASN B 81 9.355 3.699 16.163 1.00 0.00 H new ATOM 0 HD21 ASN B 81 10.227 6.174 13.084 1.00 0.00 H new ATOM 0 HD22 ASN B 81 9.427 4.608 12.907 1.00 0.00 H new ATOM 2157 N PHE B 82 9.774 0.836 16.411 1.00 0.00 N ATOM 2158 CA PHE B 82 9.418 -0.114 17.459 1.00 0.00 C ATOM 2159 C PHE B 82 8.978 -1.446 16.861 1.00 0.00 C ATOM 2160 O PHE B 82 9.429 -2.509 17.288 1.00 0.00 O ATOM 2161 CB PHE B 82 8.303 0.458 18.337 1.00 0.00 C ATOM 2162 CG PHE B 82 8.453 0.120 19.793 1.00 0.00 C ATOM 2163 CD1 PHE B 82 8.441 -1.199 20.217 1.00 0.00 C ATOM 2164 CD2 PHE B 82 8.607 1.122 20.738 1.00 0.00 C ATOM 2165 CE1 PHE B 82 8.578 -1.513 21.555 1.00 0.00 C ATOM 2166 CE2 PHE B 82 8.745 0.814 22.078 1.00 0.00 C ATOM 2167 CZ PHE B 82 8.731 -0.505 22.487 1.00 0.00 C ATOM 0 H PHE B 82 9.186 0.785 15.579 1.00 0.00 H new ATOM 0 HA PHE B 82 10.302 -0.287 18.073 1.00 0.00 H new ATOM 0 HB2 PHE B 82 8.283 1.542 18.224 1.00 0.00 H new ATOM 0 HB3 PHE B 82 7.343 0.082 17.982 1.00 0.00 H new ATOM 0 HD1 PHE B 82 8.323 -1.991 19.492 1.00 0.00 H new ATOM 0 HD2 PHE B 82 8.619 2.155 20.424 1.00 0.00 H new ATOM 0 HE1 PHE B 82 8.566 -2.545 21.872 1.00 0.00 H new ATOM 0 HE2 PHE B 82 8.864 1.604 22.805 1.00 0.00 H new ATOM 0 HZ PHE B 82 8.839 -0.748 23.534 1.00 0.00 H new ATOM 2177 N SER B 83 8.094 -1.381 15.870 1.00 0.00 N ATOM 2178 CA SER B 83 7.593 -2.582 15.213 1.00 0.00 C ATOM 2179 C SER B 83 6.872 -3.486 16.208 1.00 0.00 C ATOM 2180 O SER B 83 6.925 -4.711 16.101 1.00 0.00 O ATOM 2181 CB SER B 83 8.742 -3.345 14.553 1.00 0.00 C ATOM 2182 OG SER B 83 8.288 -4.084 13.432 1.00 0.00 O ATOM 0 H SER B 83 7.710 -0.509 15.505 1.00 0.00 H new ATOM 0 HA SER B 83 6.882 -2.276 14.446 1.00 0.00 H new ATOM 0 HB2 SER B 83 9.516 -2.644 14.241 1.00 0.00 H new ATOM 0 HB3 SER B 83 9.197 -4.020 15.277 1.00 0.00 H new ATOM 0 HG SER B 83 9.042 -4.561 13.028 1.00 0.00 H new ATOM 2188 N GLY B 84 6.198 -2.873 17.175 1.00 0.00 N ATOM 2189 CA GLY B 84 5.476 -3.637 18.175 1.00 0.00 C ATOM 2190 C GLY B 84 5.699 -3.111 19.581 1.00 0.00 C ATOM 2191 O GLY B 84 6.550 -3.623 20.308 1.00 0.00 O ATOM 0 H GLY B 84 6.139 -1.861 17.284 1.00 0.00 H new ATOM 0 HA2 GLY B 84 4.411 -3.613 17.946 1.00 0.00 H new ATOM 0 HA3 GLY B 84 5.789 -4.680 18.127 1.00 0.00 H new ATOM 2195 N PRO B 85 4.942 -2.081 19.996 1.00 0.00 N ATOM 2196 CA PRO B 85 5.072 -1.494 21.333 1.00 0.00 C ATOM 2197 C PRO B 85 4.566 -2.428 22.427 1.00 0.00 C ATOM 2198 O PRO B 85 3.339 -2.652 22.491 1.00 0.00 O ATOM 2199 CB PRO B 85 4.201 -0.238 21.257 1.00 0.00 C ATOM 2200 CG PRO B 85 3.197 -0.538 20.198 1.00 0.00 C ATOM 2201 CD PRO B 85 3.901 -1.409 19.195 1.00 0.00 C ATOM 0 HA PRO B 85 6.112 -1.292 21.590 1.00 0.00 H new ATOM 0 HB2 PRO B 85 3.719 -0.032 22.213 1.00 0.00 H new ATOM 0 HB3 PRO B 85 4.794 0.641 21.003 1.00 0.00 H new ATOM 0 HG2 PRO B 85 2.329 -1.048 20.616 1.00 0.00 H new ATOM 0 HG3 PRO B 85 2.835 0.379 19.733 1.00 0.00 H new ATOM 0 HD2 PRO B 85 3.220 -2.127 18.738 1.00 0.00 H new ATOM 0 HD3 PRO B 85 4.334 -0.821 18.386 1.00 0.00 H new TER 2209 PRO B 85