USER MOD reduce.3.24.130724 H: found=0, std=0, add=1806, rem=0, adj=63 USER MOD reduce.3.24.130724 removed 1802 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: B 35 THR OG1 : rot 153:sc= 1.31 USER MOD Set 1.2: B 51 SER OG : rot 98:sc= -0.0732 USER MOD Set 1.3: B 53 HIS : no HE2:sc= 0.619 K(o=1.9,f=-3.9!) USER MOD Set 2.1: B 19 GLN : amide:sc= 0.86 K(o=2,f=-7.2!) USER MOD Set 2.2: B 22 LYS NZ :NH3+ 142:sc= 1.11 (180deg=0) USER MOD Set 3.1: B 21 TYR OH : rot -16:sc= 0.59 USER MOD Set 3.2: B 113 HIS : no HD1:sc= -0.418! C(o=0.17!,f=-8.7!) USER MOD Set 4.1: B 18 THR OG1 : rot 103:sc= 1.62 USER MOD Set 4.2: B 37 SER OG : rot 159:sc= 0.618 USER MOD Set 5.1: A 118 TYR OH : rot -45:sc= 1.01 USER MOD Set 5.2: B 46 LYS NZ :NH3+ -153:sc= 0.203 (180deg=0) USER MOD Set 6.1: A 81 THR OG1 : rot 84:sc= 2.28 USER MOD Set 6.2: B 1 MET CE :methyl -159:sc= -0.112 (180deg=-0.268) USER MOD Set 6.3: B 2 THR OG1 : rot -165:sc= 0.214 USER MOD Set 7.1: A 35 THR OG1 : rot 144:sc= 1.08 USER MOD Set 7.2: A 51 SER OG : rot 98:sc= 0.107 USER MOD Set 7.3: A 53 HIS : no HE2:sc= 0.532 K(o=1.7,f=-2.4) USER MOD Set 8.1: A 21 TYR OH : rot -2:sc= 1.02 USER MOD Set 8.2: A 113 HIS : no HD1:sc= 0.951 K(o=2,f=-8.1!) USER MOD Set 9.1: A 19 GLN : amide:sc= -0.0729 K(o=0.072,f=-1.8) USER MOD Set 9.2: A 22 LYS NZ :NH3+ 145:sc= 0.145 (180deg=0) USER MOD Set10.1: A 18 THR OG1 : rot 102:sc= 1.95 USER MOD Set10.2: A 37 SER OG : rot 160:sc= 0.786 USER MOD Set11.1: A 7 THR OG1 : rot -133:sc= 0.712 USER MOD Set11.2: B 7 THR OG1 : rot 160:sc= 0.797 USER MOD Set12.1: A 1 MET CE :methyl -144:sc= 0 (180deg=-0.0307) USER MOD Set12.2: A 2 THR OG1 : rot -159:sc= 0.271 USER MOD Set12.3: B 81 THR OG1 : rot 72:sc= 2.09 USER MOD Single : A 1 MET N :NH3+ -167:sc= 1.01 (180deg=0.434) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -3.7! C(o=-3.7!,f=-6.8!) USER MOD Single : A 17 SER OG : rot 117:sc= 0.189 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 0.495 K(o=0.5,f=-0.25) USER MOD Single : A 45 MET CE :methyl 159:sc= -0.0812 (180deg=-0.507) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot -36:sc= 0.512 USER MOD Single : A 58 LYS NZ :NH3+ -170:sc=-0.00887 (180deg=-0.134) USER MOD Single : A 60 SER OG : rot 49:sc= 0.1 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -1.48! K(o=-1.5!,f=-2.5) USER MOD Single : A 77 GLN : amide:sc=-0.000173 K(o=-0.00017,f=-0.81) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 87:sc= 0.511 USER MOD Single : A 92 MET CE :methyl -123:sc= -3.54! (180deg=-7.91!) USER MOD Single : A 94 GLN : amide:sc= -2.02! C(o=-2!,f=-4.6!) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 98 LYS NZ :NH3+ -127:sc= -0.0398 (180deg=-0.18) USER MOD Single : A 99 MET CE :methyl 166:sc= -1.65 (180deg=-2.3) USER MOD Single : A 103 TYR OH : rot -83:sc= 0.898 USER MOD Single : A 104 THR OG1 : rot 33:sc= 0.304 USER MOD Single : A 106 THR OG1 : rot 159:sc= 0.44 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : B 1 MET N :NH3+ -168:sc= 0.949 (180deg=0.602) USER MOD Single : B 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 10 TYR OH : rot 150:sc= 0 USER MOD Single : B 13 ASN : amide:sc= -2.57 K(o=-2.6,f=-4!) USER MOD Single : B 17 SER OG : rot 119:sc=-0.00992 USER MOD Single : B 32 SER OG : rot 180:sc= -0.497 USER MOD Single : B 33 SER OG : rot 180:sc= 0 USER MOD Single : B 43 ASN :FLIP amide:sc= -0.479 F(o=-1.5,f=-0.48) USER MOD Single : B 45 MET CE :methyl 161:sc= -0.0463 (180deg=-0.373) USER MOD Single : B 54 THR OG1 : rot -42:sc= 0.33 USER MOD Single : B 58 LYS NZ :NH3+ -173:sc= -0.0179 (180deg=-0.107) USER MOD Single : B 60 SER OG : rot 48:sc= 0.199 USER MOD Single : B 62 THR OG1 : rot 180:sc= -0.331 USER MOD Single : B 74 ASN : amide:sc= -1.88! X(o=-1.9!,f=-2.1) USER MOD Single : B 77 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : B 86 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0549) USER MOD Single : B 88 SER OG : rot 86:sc= 0.552 USER MOD Single : B 92 MET CE :methyl -131:sc= -0.135 (180deg=-1.05) USER MOD Single : B 94 GLN : amide:sc= -1.53! C(o=-1.5!,f=-3.7!) USER MOD Single : B 95 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : B 98 LYS NZ :NH3+ -130:sc= -0.0159 (180deg=-0.412) USER MOD Single : B 99 MET CE :methyl 175:sc= -1.93 (180deg=-2) USER MOD Single : B 103 TYR OH : rot -79:sc= 0.852 USER MOD Single : B 104 THR OG1 : rot 28:sc= 1.26 USER MOD Single : B 106 THR OG1 : rot 151:sc= 0.566 USER MOD Single : B 112 SER OG : rot 180:sc= 0 USER MOD Single : B 118 TYR OH : rot -42:sc= 0.741 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.945 18.516 -5.717 1.00 0.00 N ATOM 2 CA MET A 1 4.685 18.259 -6.982 1.00 0.00 C ATOM 3 C MET A 1 4.771 16.746 -7.279 1.00 0.00 C ATOM 4 O MET A 1 5.127 16.345 -8.396 1.00 0.00 O ATOM 5 CB MET A 1 6.112 18.881 -6.909 1.00 0.00 C ATOM 6 CG MET A 1 7.083 18.182 -5.933 1.00 0.00 C ATOM 7 SD MET A 1 6.527 18.244 -4.212 1.00 0.00 S ATOM 8 CE MET A 1 7.725 17.198 -3.373 1.00 0.00 C ATOM 0 H1 MET A 1 3.710 19.527 -5.652 1.00 0.00 H new ATOM 0 H2 MET A 1 3.069 17.955 -5.707 1.00 0.00 H new ATOM 0 H3 MET A 1 4.538 18.246 -4.907 1.00 0.00 H new ATOM 0 HA MET A 1 4.137 18.731 -7.797 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.550 18.864 -7.907 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.021 19.928 -6.619 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.203 17.141 -6.233 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.064 18.650 -6.009 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.229 16.643 -2.577 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.160 16.498 -4.087 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.514 17.818 -2.946 1.00 0.00 H new ATOM 18 N THR A 2 4.405 15.921 -6.282 1.00 0.00 N ATOM 19 CA THR A 2 4.647 14.472 -6.286 1.00 0.00 C ATOM 20 C THR A 2 3.373 13.721 -5.852 1.00 0.00 C ATOM 21 O THR A 2 2.720 14.111 -4.874 1.00 0.00 O ATOM 22 CB THR A 2 5.829 14.169 -5.321 1.00 0.00 C ATOM 23 OG1 THR A 2 6.964 14.924 -5.736 1.00 0.00 O ATOM 24 CG2 THR A 2 6.203 12.694 -5.280 1.00 0.00 C ATOM 0 H THR A 2 3.927 16.248 -5.442 1.00 0.00 H new ATOM 0 HA THR A 2 4.904 14.134 -7.290 1.00 0.00 H new ATOM 0 HB THR A 2 5.508 14.446 -4.317 1.00 0.00 H new ATOM 0 HG1 THR A 2 7.778 14.516 -5.374 1.00 0.00 H new ATOM 0 HG21 THR A 2 7.033 12.548 -4.589 1.00 0.00 H new ATOM 0 HG22 THR A 2 5.346 12.110 -4.945 1.00 0.00 H new ATOM 0 HG23 THR A 2 6.498 12.366 -6.277 1.00 0.00 H new ATOM 32 N HIS A 3 3.025 12.637 -6.582 1.00 0.00 N ATOM 33 CA HIS A 3 1.724 11.946 -6.435 1.00 0.00 C ATOM 34 C HIS A 3 1.912 10.430 -6.172 1.00 0.00 C ATOM 35 O HIS A 3 2.193 9.672 -7.111 1.00 0.00 O ATOM 36 CB HIS A 3 0.861 12.178 -7.706 1.00 0.00 C ATOM 37 CG HIS A 3 0.549 13.628 -7.966 1.00 0.00 C ATOM 38 ND1 HIS A 3 -0.246 14.383 -7.126 1.00 0.00 N ATOM 39 CD2 HIS A 3 0.957 14.468 -8.948 1.00 0.00 C ATOM 40 CE1 HIS A 3 -0.310 15.619 -7.581 1.00 0.00 C ATOM 41 NE2 HIS A 3 0.410 15.696 -8.681 1.00 0.00 N ATOM 0 H HIS A 3 3.634 12.219 -7.285 1.00 0.00 H new ATOM 0 HA HIS A 3 1.210 12.365 -5.570 1.00 0.00 H new ATOM 0 HB2 HIS A 3 1.383 11.767 -8.570 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -0.074 11.626 -7.606 1.00 0.00 H new ATOM 0 HD2 HIS A 3 1.593 14.217 -9.784 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -0.860 16.431 -7.128 1.00 0.00 H new ATOM 0 HE2 HIS A 3 0.540 16.536 -9.245 1.00 0.00 H new ATOM 50 N PRO A 4 1.780 9.962 -4.884 1.00 0.00 N ATOM 51 CA PRO A 4 1.788 8.520 -4.553 1.00 0.00 C ATOM 52 C PRO A 4 0.471 7.840 -4.959 1.00 0.00 C ATOM 53 O PRO A 4 -0.548 7.973 -4.287 1.00 0.00 O ATOM 54 CB PRO A 4 2.007 8.489 -3.025 1.00 0.00 C ATOM 55 CG PRO A 4 1.418 9.781 -2.548 1.00 0.00 C ATOM 56 CD PRO A 4 1.638 10.795 -3.661 1.00 0.00 C ATOM 0 HA PRO A 4 2.561 7.971 -5.091 1.00 0.00 H new ATOM 0 HB2 PRO A 4 1.512 7.632 -2.568 1.00 0.00 H new ATOM 0 HB3 PRO A 4 3.065 8.416 -2.775 1.00 0.00 H new ATOM 0 HG2 PRO A 4 0.356 9.667 -2.332 1.00 0.00 H new ATOM 0 HG3 PRO A 4 1.897 10.108 -1.625 1.00 0.00 H new ATOM 0 HD2 PRO A 4 0.799 11.485 -3.744 1.00 0.00 H new ATOM 0 HD3 PRO A 4 2.529 11.397 -3.482 1.00 0.00 H new ATOM 64 N ASP A 5 0.513 7.143 -6.092 1.00 0.00 N ATOM 65 CA ASP A 5 -0.641 6.402 -6.653 1.00 0.00 C ATOM 66 C ASP A 5 -0.373 4.887 -6.625 1.00 0.00 C ATOM 67 O ASP A 5 -1.220 4.065 -7.003 1.00 0.00 O ATOM 68 CB ASP A 5 -0.884 6.918 -8.089 1.00 0.00 C ATOM 69 CG ASP A 5 -1.978 6.165 -8.866 1.00 0.00 C ATOM 70 OD1 ASP A 5 -3.159 6.277 -8.496 1.00 0.00 O ATOM 71 OD2 ASP A 5 -1.647 5.479 -9.859 1.00 0.00 O ATOM 0 H ASP A 5 1.355 7.069 -6.662 1.00 0.00 H new ATOM 0 HA ASP A 5 -1.536 6.571 -6.054 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -1.153 7.973 -8.041 1.00 0.00 H new ATOM 0 HB3 ASP A 5 0.050 6.852 -8.647 1.00 0.00 H new ATOM 76 N PHE A 6 0.791 4.528 -6.085 1.00 0.00 N ATOM 77 CA PHE A 6 1.333 3.180 -6.163 1.00 0.00 C ATOM 78 C PHE A 6 1.655 2.723 -4.735 1.00 0.00 C ATOM 79 O PHE A 6 2.502 3.308 -4.075 1.00 0.00 O ATOM 80 CB PHE A 6 2.589 3.212 -7.087 1.00 0.00 C ATOM 81 CG PHE A 6 3.283 1.873 -7.358 1.00 0.00 C ATOM 82 CD1 PHE A 6 2.581 0.677 -7.412 1.00 0.00 C ATOM 83 CD2 PHE A 6 4.654 1.827 -7.602 1.00 0.00 C ATOM 84 CE1 PHE A 6 3.230 -0.501 -7.690 1.00 0.00 C ATOM 85 CE2 PHE A 6 5.299 0.643 -7.876 1.00 0.00 C ATOM 86 CZ PHE A 6 4.586 -0.523 -7.921 1.00 0.00 C ATOM 0 H PHE A 6 1.389 5.178 -5.575 1.00 0.00 H new ATOM 0 HA PHE A 6 0.628 2.468 -6.593 1.00 0.00 H new ATOM 0 HB2 PHE A 6 2.295 3.642 -8.045 1.00 0.00 H new ATOM 0 HB3 PHE A 6 3.319 3.889 -6.644 1.00 0.00 H new ATOM 0 HD1 PHE A 6 1.516 0.673 -7.234 1.00 0.00 H new ATOM 0 HD2 PHE A 6 5.225 2.744 -7.575 1.00 0.00 H new ATOM 0 HE1 PHE A 6 2.668 -1.423 -7.728 1.00 0.00 H new ATOM 0 HE2 PHE A 6 6.364 0.635 -8.055 1.00 0.00 H new ATOM 0 HZ PHE A 6 5.085 -1.456 -8.137 1.00 0.00 H new ATOM 96 N THR A 7 0.916 1.725 -4.247 1.00 0.00 N ATOM 97 CA THR A 7 1.167 1.103 -2.935 1.00 0.00 C ATOM 98 C THR A 7 1.753 -0.291 -3.165 1.00 0.00 C ATOM 99 O THR A 7 1.309 -1.016 -4.049 1.00 0.00 O ATOM 100 CB THR A 7 -0.133 1.025 -2.067 1.00 0.00 C ATOM 101 OG1 THR A 7 0.141 0.387 -0.808 1.00 0.00 O ATOM 102 CG2 THR A 7 -1.282 0.278 -2.778 1.00 0.00 C ATOM 0 H THR A 7 0.124 1.321 -4.747 1.00 0.00 H new ATOM 0 HA THR A 7 1.873 1.719 -2.379 1.00 0.00 H new ATOM 0 HB THR A 7 -0.457 2.053 -1.904 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.547 -0.287 -0.626 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.157 0.255 -2.129 1.00 0.00 H new ATOM 0 HG22 THR A 7 -1.531 0.793 -3.706 1.00 0.00 H new ATOM 0 HG23 THR A 7 -0.969 -0.742 -3.002 1.00 0.00 H new ATOM 110 N ILE A 8 2.779 -0.637 -2.382 1.00 0.00 N ATOM 111 CA ILE A 8 3.527 -1.893 -2.529 1.00 0.00 C ATOM 112 C ILE A 8 3.421 -2.715 -1.236 1.00 0.00 C ATOM 113 O ILE A 8 3.562 -2.173 -0.137 1.00 0.00 O ATOM 114 CB ILE A 8 5.046 -1.619 -2.851 1.00 0.00 C ATOM 115 CG1 ILE A 8 5.197 -0.662 -4.078 1.00 0.00 C ATOM 116 CG2 ILE A 8 5.812 -2.946 -3.081 1.00 0.00 C ATOM 117 CD1 ILE A 8 6.633 -0.281 -4.404 1.00 0.00 C ATOM 0 H ILE A 8 3.118 -0.049 -1.621 1.00 0.00 H new ATOM 0 HA ILE A 8 3.093 -2.449 -3.360 1.00 0.00 H new ATOM 0 HB ILE A 8 5.488 -1.123 -1.987 1.00 0.00 H new ATOM 0 HG12 ILE A 8 4.753 -1.139 -4.952 1.00 0.00 H new ATOM 0 HG13 ILE A 8 4.627 0.247 -3.887 1.00 0.00 H new ATOM 0 HG21 ILE A 8 6.857 -2.729 -3.301 1.00 0.00 H new ATOM 0 HG22 ILE A 8 5.750 -3.562 -2.184 1.00 0.00 H new ATOM 0 HG23 ILE A 8 5.368 -3.482 -3.920 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.646 0.384 -5.268 1.00 0.00 H new ATOM 0 HD12 ILE A 8 7.078 0.227 -3.548 1.00 0.00 H new ATOM 0 HD13 ILE A 8 7.206 -1.180 -4.630 1.00 0.00 H new ATOM 129 N LEU A 9 3.163 -4.021 -1.379 1.00 0.00 N ATOM 130 CA LEU A 9 3.189 -4.981 -0.261 1.00 0.00 C ATOM 131 C LEU A 9 4.425 -5.881 -0.436 1.00 0.00 C ATOM 132 O LEU A 9 4.793 -6.272 -1.546 1.00 0.00 O ATOM 133 CB LEU A 9 1.866 -5.816 -0.180 1.00 0.00 C ATOM 134 CG LEU A 9 0.643 -5.161 0.555 1.00 0.00 C ATOM 135 CD1 LEU A 9 0.992 -4.804 2.014 1.00 0.00 C ATOM 136 CD2 LEU A 9 0.087 -3.940 -0.213 1.00 0.00 C ATOM 0 H LEU A 9 2.929 -4.446 -2.276 1.00 0.00 H new ATOM 0 HA LEU A 9 3.257 -4.443 0.685 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.558 -6.058 -1.197 1.00 0.00 H new ATOM 0 HB3 LEU A 9 2.093 -6.759 0.318 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.153 -5.906 0.578 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.125 -4.352 2.496 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.276 -5.709 2.552 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.823 -4.098 2.027 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.758 -3.520 0.333 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.867 -3.185 -0.310 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.241 -4.252 -1.204 1.00 0.00 H new ATOM 148 N TYR A 10 5.025 -6.207 0.708 1.00 0.00 N ATOM 149 CA TYR A 10 6.296 -6.939 0.825 1.00 0.00 C ATOM 150 C TYR A 10 6.020 -8.437 1.066 1.00 0.00 C ATOM 151 O TYR A 10 5.319 -8.785 2.006 1.00 0.00 O ATOM 152 CB TYR A 10 7.141 -6.326 1.995 1.00 0.00 C ATOM 153 CG TYR A 10 6.475 -6.396 3.404 1.00 0.00 C ATOM 154 CD1 TYR A 10 5.298 -5.691 3.693 1.00 0.00 C ATOM 155 CD2 TYR A 10 7.009 -7.181 4.426 1.00 0.00 C ATOM 156 CE1 TYR A 10 4.688 -5.770 4.929 1.00 0.00 C ATOM 157 CE2 TYR A 10 6.402 -7.250 5.667 1.00 0.00 C ATOM 158 CZ TYR A 10 5.246 -6.548 5.913 1.00 0.00 C ATOM 159 OH TYR A 10 4.630 -6.638 7.142 1.00 0.00 O ATOM 0 H TYR A 10 4.629 -5.962 1.615 1.00 0.00 H new ATOM 0 HA TYR A 10 6.863 -6.846 -0.101 1.00 0.00 H new ATOM 0 HB2 TYR A 10 8.100 -6.842 2.038 1.00 0.00 H new ATOM 0 HB3 TYR A 10 7.351 -5.282 1.762 1.00 0.00 H new ATOM 0 HD1 TYR A 10 4.857 -5.069 2.928 1.00 0.00 H new ATOM 0 HD2 TYR A 10 7.912 -7.745 4.245 1.00 0.00 H new ATOM 0 HE1 TYR A 10 3.777 -5.223 5.121 1.00 0.00 H new ATOM 0 HE2 TYR A 10 6.838 -7.858 6.446 1.00 0.00 H new ATOM 0 HH TYR A 10 5.150 -7.228 7.726 1.00 0.00 H new ATOM 169 N VAL A 11 6.548 -9.329 0.212 1.00 0.00 N ATOM 170 CA VAL A 11 6.309 -10.792 0.330 1.00 0.00 C ATOM 171 C VAL A 11 7.650 -11.541 0.324 1.00 0.00 C ATOM 172 O VAL A 11 8.680 -10.991 -0.056 1.00 0.00 O ATOM 173 CB VAL A 11 5.365 -11.339 -0.823 1.00 0.00 C ATOM 174 CG1 VAL A 11 4.003 -10.602 -0.836 1.00 0.00 C ATOM 175 CG2 VAL A 11 6.031 -11.282 -2.222 1.00 0.00 C ATOM 0 H VAL A 11 7.146 -9.070 -0.573 1.00 0.00 H new ATOM 0 HA VAL A 11 5.796 -10.969 1.275 1.00 0.00 H new ATOM 0 HB VAL A 11 5.187 -12.390 -0.597 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.381 -11.001 -1.637 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.501 -10.749 0.120 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.167 -9.537 -1.000 1.00 0.00 H new ATOM 0 HG21 VAL A 11 5.339 -11.669 -2.970 1.00 0.00 H new ATOM 0 HG22 VAL A 11 6.286 -10.250 -2.462 1.00 0.00 H new ATOM 0 HG23 VAL A 11 6.937 -11.888 -2.219 1.00 0.00 H new ATOM 185 N ASP A 12 7.623 -12.791 0.786 1.00 0.00 N ATOM 186 CA ASP A 12 8.782 -13.689 0.835 1.00 0.00 C ATOM 187 C ASP A 12 8.514 -14.900 -0.077 1.00 0.00 C ATOM 188 O ASP A 12 8.845 -16.044 0.262 1.00 0.00 O ATOM 189 CB ASP A 12 9.060 -14.086 2.310 1.00 0.00 C ATOM 190 CG ASP A 12 7.849 -14.709 3.035 1.00 0.00 C ATOM 191 OD1 ASP A 12 7.027 -13.952 3.586 1.00 0.00 O ATOM 192 OD2 ASP A 12 7.724 -15.957 3.068 1.00 0.00 O ATOM 0 H ASP A 12 6.772 -13.221 1.147 1.00 0.00 H new ATOM 0 HA ASP A 12 9.681 -13.197 0.464 1.00 0.00 H new ATOM 0 HB2 ASP A 12 9.888 -14.795 2.334 1.00 0.00 H new ATOM 0 HB3 ASP A 12 9.382 -13.201 2.859 1.00 0.00 H new ATOM 197 N ASN A 13 8.014 -14.606 -1.290 1.00 0.00 N ATOM 198 CA ASN A 13 7.268 -15.593 -2.102 1.00 0.00 C ATOM 199 C ASN A 13 6.790 -14.962 -3.438 1.00 0.00 C ATOM 200 O ASN A 13 5.606 -14.634 -3.581 1.00 0.00 O ATOM 201 CB ASN A 13 6.068 -16.126 -1.253 1.00 0.00 C ATOM 202 CG ASN A 13 5.223 -17.177 -1.914 1.00 0.00 C ATOM 203 OD1 ASN A 13 5.692 -17.925 -2.765 1.00 0.00 O ATOM 204 ND2 ASN A 13 3.968 -17.246 -1.500 1.00 0.00 N ATOM 0 H ASN A 13 8.111 -13.692 -1.733 1.00 0.00 H new ATOM 0 HA ASN A 13 7.918 -16.427 -2.365 1.00 0.00 H new ATOM 0 HB2 ASN A 13 6.458 -16.533 -0.320 1.00 0.00 H new ATOM 0 HB3 ASN A 13 5.429 -15.283 -0.991 1.00 0.00 H new ATOM 0 HD21 ASN A 13 3.339 -17.947 -1.892 1.00 0.00 H new ATOM 0 HD22 ASN A 13 3.629 -16.598 -0.789 1.00 0.00 H new ATOM 211 N PRO A 14 7.705 -14.748 -4.444 1.00 0.00 N ATOM 212 CA PRO A 14 7.332 -14.107 -5.727 1.00 0.00 C ATOM 213 C PRO A 14 6.197 -14.870 -6.517 1.00 0.00 C ATOM 214 O PRO A 14 5.114 -14.294 -6.641 1.00 0.00 O ATOM 215 CB PRO A 14 8.680 -13.969 -6.502 1.00 0.00 C ATOM 216 CG PRO A 14 9.751 -14.157 -5.457 1.00 0.00 C ATOM 217 CD PRO A 14 9.154 -15.081 -4.412 1.00 0.00 C ATOM 0 HA PRO A 14 6.865 -13.134 -5.573 1.00 0.00 H new ATOM 0 HB2 PRO A 14 8.761 -14.718 -7.290 1.00 0.00 H new ATOM 0 HB3 PRO A 14 8.762 -12.993 -6.981 1.00 0.00 H new ATOM 0 HG2 PRO A 14 10.651 -14.590 -5.893 1.00 0.00 H new ATOM 0 HG3 PRO A 14 10.038 -13.203 -5.016 1.00 0.00 H new ATOM 0 HD2 PRO A 14 9.331 -16.129 -4.654 1.00 0.00 H new ATOM 0 HD3 PRO A 14 9.585 -14.905 -3.427 1.00 0.00 H new ATOM 225 N PRO A 15 6.351 -16.175 -7.011 1.00 0.00 N ATOM 226 CA PRO A 15 5.282 -16.839 -7.824 1.00 0.00 C ATOM 227 C PRO A 15 3.949 -16.972 -7.047 1.00 0.00 C ATOM 228 O PRO A 15 2.932 -16.381 -7.425 1.00 0.00 O ATOM 229 CB PRO A 15 5.877 -18.236 -8.189 1.00 0.00 C ATOM 230 CG PRO A 15 7.354 -18.080 -7.982 1.00 0.00 C ATOM 231 CD PRO A 15 7.503 -17.106 -6.830 1.00 0.00 C ATOM 0 HA PRO A 15 5.027 -16.254 -8.707 1.00 0.00 H new ATOM 0 HB2 PRO A 15 5.468 -19.020 -7.553 1.00 0.00 H new ATOM 0 HB3 PRO A 15 5.647 -18.509 -9.219 1.00 0.00 H new ATOM 0 HG2 PRO A 15 7.820 -19.037 -7.749 1.00 0.00 H new ATOM 0 HG3 PRO A 15 7.838 -17.700 -8.882 1.00 0.00 H new ATOM 0 HD2 PRO A 15 7.461 -17.614 -5.867 1.00 0.00 H new ATOM 0 HD3 PRO A 15 8.456 -16.578 -6.871 1.00 0.00 H new ATOM 239 N ALA A 16 4.020 -17.700 -5.919 1.00 0.00 N ATOM 240 CA ALA A 16 2.834 -18.215 -5.205 1.00 0.00 C ATOM 241 C ALA A 16 1.992 -17.095 -4.575 1.00 0.00 C ATOM 242 O ALA A 16 0.753 -17.156 -4.622 1.00 0.00 O ATOM 243 CB ALA A 16 3.247 -19.248 -4.150 1.00 0.00 C ATOM 0 H ALA A 16 4.903 -17.950 -5.474 1.00 0.00 H new ATOM 0 HA ALA A 16 2.201 -18.702 -5.947 1.00 0.00 H new ATOM 0 HB1 ALA A 16 2.360 -19.616 -3.634 1.00 0.00 H new ATOM 0 HB2 ALA A 16 3.756 -20.081 -4.636 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.919 -18.783 -3.429 1.00 0.00 H new ATOM 249 N SER A 17 2.649 -16.058 -4.009 1.00 0.00 N ATOM 250 CA SER A 17 1.928 -14.955 -3.347 1.00 0.00 C ATOM 251 C SER A 17 1.335 -14.009 -4.391 1.00 0.00 C ATOM 252 O SER A 17 0.291 -13.396 -4.152 1.00 0.00 O ATOM 253 CB SER A 17 2.842 -14.159 -2.395 1.00 0.00 C ATOM 254 OG SER A 17 2.113 -13.178 -1.672 1.00 0.00 O ATOM 0 H SER A 17 3.665 -15.964 -3.998 1.00 0.00 H new ATOM 0 HA SER A 17 1.129 -15.401 -2.755 1.00 0.00 H new ATOM 0 HB2 SER A 17 3.325 -14.843 -1.697 1.00 0.00 H new ATOM 0 HB3 SER A 17 3.634 -13.676 -2.968 1.00 0.00 H new ATOM 0 HG SER A 17 2.146 -13.385 -0.715 1.00 0.00 H new ATOM 260 N THR A 18 1.976 -13.917 -5.574 1.00 0.00 N ATOM 261 CA THR A 18 1.446 -13.101 -6.671 1.00 0.00 C ATOM 262 C THR A 18 0.197 -13.706 -7.326 1.00 0.00 C ATOM 263 O THR A 18 -0.735 -12.987 -7.680 1.00 0.00 O ATOM 264 CB THR A 18 2.536 -12.808 -7.746 1.00 0.00 C ATOM 265 OG1 THR A 18 3.635 -12.124 -7.115 1.00 0.00 O ATOM 266 CG2 THR A 18 2.012 -11.944 -8.916 1.00 0.00 C ATOM 0 H THR A 18 2.852 -14.394 -5.787 1.00 0.00 H new ATOM 0 HA THR A 18 1.141 -12.159 -6.216 1.00 0.00 H new ATOM 0 HB THR A 18 2.847 -13.765 -8.166 1.00 0.00 H new ATOM 0 HG1 THR A 18 4.365 -12.758 -6.953 1.00 0.00 H new ATOM 0 HG21 THR A 18 2.816 -11.774 -9.632 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.190 -12.461 -9.410 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.660 -10.987 -8.532 1.00 0.00 H new ATOM 274 N GLN A 19 0.170 -15.066 -7.381 1.00 0.00 N ATOM 275 CA GLN A 19 -1.024 -15.842 -7.790 1.00 0.00 C ATOM 276 C GLN A 19 -2.152 -15.620 -6.772 1.00 0.00 C ATOM 277 O GLN A 19 -3.334 -15.539 -7.146 1.00 0.00 O ATOM 278 CB GLN A 19 -0.711 -17.359 -7.897 1.00 0.00 C ATOM 279 CG GLN A 19 0.393 -17.746 -8.899 1.00 0.00 C ATOM 280 CD GLN A 19 0.084 -17.383 -10.351 1.00 0.00 C ATOM 281 OE1 GLN A 19 0.448 -16.313 -10.820 1.00 0.00 O ATOM 282 NE2 GLN A 19 -0.603 -18.260 -11.067 1.00 0.00 N ATOM 0 H GLN A 19 0.973 -15.648 -7.144 1.00 0.00 H new ATOM 0 HA GLN A 19 -1.333 -15.492 -8.775 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -0.424 -17.722 -6.910 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -1.627 -17.881 -8.174 1.00 0.00 H new ATOM 0 HG2 GLN A 19 1.321 -17.257 -8.605 1.00 0.00 H new ATOM 0 HG3 GLN A 19 0.565 -18.820 -8.835 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -0.893 -19.144 -10.649 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -0.842 -18.051 -12.036 1.00 0.00 H new ATOM 291 N PHE A 20 -1.768 -15.521 -5.483 1.00 0.00 N ATOM 292 CA PHE A 20 -2.724 -15.319 -4.394 1.00 0.00 C ATOM 293 C PHE A 20 -3.380 -13.937 -4.532 1.00 0.00 C ATOM 294 O PHE A 20 -4.598 -13.831 -4.392 1.00 0.00 O ATOM 295 CB PHE A 20 -2.052 -15.452 -2.997 1.00 0.00 C ATOM 296 CG PHE A 20 -3.042 -15.249 -1.836 1.00 0.00 C ATOM 297 CD1 PHE A 20 -3.888 -16.283 -1.431 1.00 0.00 C ATOM 298 CD2 PHE A 20 -3.169 -14.007 -1.195 1.00 0.00 C ATOM 299 CE1 PHE A 20 -4.817 -16.085 -0.429 1.00 0.00 C ATOM 300 CE2 PHE A 20 -4.099 -13.821 -0.192 1.00 0.00 C ATOM 301 CZ PHE A 20 -4.924 -14.856 0.185 1.00 0.00 C ATOM 0 H PHE A 20 -0.796 -15.579 -5.178 1.00 0.00 H new ATOM 0 HA PHE A 20 -3.483 -16.098 -4.467 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -1.596 -16.438 -2.911 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -1.248 -14.721 -2.915 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.815 -17.250 -1.907 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -2.531 -13.187 -1.490 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -5.462 -16.896 -0.125 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -4.179 -12.862 0.298 1.00 0.00 H new ATOM 0 HZ PHE A 20 -5.657 -14.705 0.964 1.00 0.00 H new ATOM 311 N TYR A 21 -2.579 -12.896 -4.848 1.00 0.00 N ATOM 312 CA TYR A 21 -3.101 -11.533 -5.073 1.00 0.00 C ATOM 313 C TYR A 21 -3.935 -11.501 -6.367 1.00 0.00 C ATOM 314 O TYR A 21 -4.874 -10.716 -6.451 1.00 0.00 O ATOM 315 CB TYR A 21 -1.961 -10.483 -5.062 1.00 0.00 C ATOM 316 CG TYR A 21 -1.612 -9.948 -3.653 1.00 0.00 C ATOM 317 CD1 TYR A 21 -0.992 -10.761 -2.695 1.00 0.00 C ATOM 318 CD2 TYR A 21 -1.923 -8.630 -3.279 1.00 0.00 C ATOM 319 CE1 TYR A 21 -0.700 -10.285 -1.429 1.00 0.00 C ATOM 320 CE2 TYR A 21 -1.627 -8.153 -2.018 1.00 0.00 C ATOM 321 CZ TYR A 21 -1.019 -8.981 -1.098 1.00 0.00 C ATOM 322 OH TYR A 21 -0.742 -8.503 0.162 1.00 0.00 O ATOM 0 H TYR A 21 -1.568 -12.975 -4.953 1.00 0.00 H new ATOM 0 HA TYR A 21 -3.762 -11.261 -4.250 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.068 -10.927 -5.502 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -2.247 -9.645 -5.697 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.737 -11.779 -2.950 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -2.403 -7.977 -3.993 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -0.225 -10.929 -0.703 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.871 -7.135 -1.753 1.00 0.00 H new ATOM 0 HH TYR A 21 -0.353 -9.220 0.705 1.00 0.00 H new ATOM 332 N LYS A 22 -3.593 -12.334 -7.366 1.00 0.00 N ATOM 333 CA LYS A 22 -4.348 -12.393 -8.641 1.00 0.00 C ATOM 334 C LYS A 22 -5.835 -12.718 -8.419 1.00 0.00 C ATOM 335 O LYS A 22 -6.718 -12.073 -8.985 1.00 0.00 O ATOM 336 CB LYS A 22 -3.694 -13.403 -9.613 1.00 0.00 C ATOM 337 CG LYS A 22 -2.403 -12.894 -10.274 1.00 0.00 C ATOM 338 CD LYS A 22 -1.664 -13.992 -11.063 1.00 0.00 C ATOM 339 CE LYS A 22 -2.489 -14.586 -12.215 1.00 0.00 C ATOM 340 NZ LYS A 22 -1.684 -15.504 -13.058 1.00 0.00 N ATOM 0 H LYS A 22 -2.802 -12.976 -7.320 1.00 0.00 H new ATOM 0 HA LYS A 22 -4.306 -11.402 -9.093 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.473 -14.322 -9.070 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -4.412 -13.658 -10.392 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -2.644 -12.070 -10.946 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.740 -12.496 -9.506 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.740 -13.578 -11.466 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.383 -14.792 -10.378 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -3.345 -15.124 -11.808 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -2.884 -13.779 -12.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.284 -16.285 -13.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.307 -14.983 -13.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.896 -15.888 -12.498 1.00 0.00 H new ATOM 354 N ALA A 23 -6.072 -13.729 -7.572 1.00 0.00 N ATOM 355 CA ALA A 23 -7.428 -14.169 -7.181 1.00 0.00 C ATOM 356 C ALA A 23 -8.056 -13.209 -6.140 1.00 0.00 C ATOM 357 O ALA A 23 -9.269 -12.970 -6.145 1.00 0.00 O ATOM 358 CB ALA A 23 -7.349 -15.603 -6.630 1.00 0.00 C ATOM 0 H ALA A 23 -5.327 -14.271 -7.134 1.00 0.00 H new ATOM 0 HA ALA A 23 -8.074 -14.152 -8.059 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.345 -15.936 -6.339 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.955 -16.267 -7.399 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -6.691 -15.623 -5.761 1.00 0.00 H new ATOM 364 N LEU A 24 -7.197 -12.683 -5.256 1.00 0.00 N ATOM 365 CA LEU A 24 -7.565 -11.777 -4.138 1.00 0.00 C ATOM 366 C LEU A 24 -8.214 -10.466 -4.630 1.00 0.00 C ATOM 367 O LEU A 24 -9.204 -9.993 -4.061 1.00 0.00 O ATOM 368 CB LEU A 24 -6.263 -11.435 -3.361 1.00 0.00 C ATOM 369 CG LEU A 24 -6.377 -10.608 -2.050 1.00 0.00 C ATOM 370 CD1 LEU A 24 -6.967 -11.453 -0.917 1.00 0.00 C ATOM 371 CD2 LEU A 24 -5.009 -10.002 -1.645 1.00 0.00 C ATOM 0 H LEU A 24 -6.196 -12.876 -5.292 1.00 0.00 H new ATOM 0 HA LEU A 24 -8.297 -12.283 -3.509 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.766 -12.374 -3.118 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.605 -10.892 -4.039 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.060 -9.779 -2.238 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.036 -10.850 -0.011 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.962 -11.798 -1.200 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.324 -12.313 -0.732 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.123 -9.430 -0.724 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.288 -10.804 -1.487 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.653 -9.345 -2.439 1.00 0.00 H new ATOM 383 N LEU A 25 -7.640 -9.918 -5.714 1.00 0.00 N ATOM 384 CA LEU A 25 -8.111 -8.679 -6.355 1.00 0.00 C ATOM 385 C LEU A 25 -9.106 -9.034 -7.478 1.00 0.00 C ATOM 386 O LEU A 25 -10.160 -8.406 -7.609 1.00 0.00 O ATOM 387 CB LEU A 25 -6.898 -7.893 -6.926 1.00 0.00 C ATOM 388 CG LEU A 25 -5.666 -7.730 -5.971 1.00 0.00 C ATOM 389 CD1 LEU A 25 -4.529 -6.967 -6.660 1.00 0.00 C ATOM 390 CD2 LEU A 25 -6.043 -7.065 -4.646 1.00 0.00 C ATOM 0 H LEU A 25 -6.827 -10.327 -6.175 1.00 0.00 H new ATOM 0 HA LEU A 25 -8.616 -8.051 -5.622 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.563 -8.393 -7.835 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.240 -6.900 -7.217 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.313 -8.735 -5.737 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.688 -6.869 -5.973 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.211 -7.513 -7.548 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.879 -5.976 -6.949 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.156 -6.974 -4.019 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.453 -6.074 -4.840 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.789 -7.672 -4.133 1.00 0.00 H new ATOM 402 N GLY A 26 -8.738 -10.041 -8.288 1.00 0.00 N ATOM 403 CA GLY A 26 -9.486 -10.409 -9.501 1.00 0.00 C ATOM 404 C GLY A 26 -8.806 -9.899 -10.771 1.00 0.00 C ATOM 405 O GLY A 26 -9.470 -9.648 -11.782 1.00 0.00 O ATOM 0 H GLY A 26 -7.916 -10.621 -8.121 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -9.582 -11.494 -9.552 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -10.495 -10.002 -9.442 1.00 0.00 H new ATOM 409 N VAL A 27 -7.466 -9.755 -10.715 1.00 0.00 N ATOM 410 CA VAL A 27 -6.641 -9.201 -11.821 1.00 0.00 C ATOM 411 C VAL A 27 -5.448 -10.139 -12.129 1.00 0.00 C ATOM 412 O VAL A 27 -5.305 -11.194 -11.510 1.00 0.00 O ATOM 413 CB VAL A 27 -6.102 -7.747 -11.477 1.00 0.00 C ATOM 414 CG1 VAL A 27 -7.258 -6.762 -11.173 1.00 0.00 C ATOM 415 CG2 VAL A 27 -5.075 -7.774 -10.314 1.00 0.00 C ATOM 0 H VAL A 27 -6.917 -10.020 -9.897 1.00 0.00 H new ATOM 0 HA VAL A 27 -7.281 -9.128 -12.700 1.00 0.00 H new ATOM 0 HB VAL A 27 -5.585 -7.385 -12.366 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -6.847 -5.779 -10.943 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -7.911 -6.688 -12.043 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -7.830 -7.125 -10.319 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.730 -6.760 -10.109 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -5.547 -8.184 -9.421 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.225 -8.397 -10.593 1.00 0.00 H new ATOM 425 N ASP A 28 -4.610 -9.739 -13.099 1.00 0.00 N ATOM 426 CA ASP A 28 -3.318 -10.394 -13.415 1.00 0.00 C ATOM 427 C ASP A 28 -2.203 -9.320 -13.388 1.00 0.00 C ATOM 428 O ASP A 28 -2.513 -8.132 -13.551 1.00 0.00 O ATOM 429 CB ASP A 28 -3.384 -11.121 -14.796 1.00 0.00 C ATOM 430 CG ASP A 28 -3.678 -10.196 -15.993 1.00 0.00 C ATOM 431 OD1 ASP A 28 -2.726 -9.662 -16.607 1.00 0.00 O ATOM 432 OD2 ASP A 28 -4.861 -10.018 -16.339 1.00 0.00 O ATOM 0 H ASP A 28 -4.809 -8.939 -13.699 1.00 0.00 H new ATOM 0 HA ASP A 28 -3.097 -11.158 -12.670 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -2.436 -11.629 -14.970 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -4.154 -11.891 -14.750 1.00 0.00 H new ATOM 437 N PRO A 29 -0.897 -9.694 -13.157 1.00 0.00 N ATOM 438 CA PRO A 29 0.216 -8.720 -13.173 1.00 0.00 C ATOM 439 C PRO A 29 0.465 -8.132 -14.582 1.00 0.00 C ATOM 440 O PRO A 29 0.631 -8.874 -15.558 1.00 0.00 O ATOM 441 CB PRO A 29 1.437 -9.536 -12.665 1.00 0.00 C ATOM 442 CG PRO A 29 1.097 -10.956 -12.994 1.00 0.00 C ATOM 443 CD PRO A 29 -0.406 -11.058 -12.821 1.00 0.00 C ATOM 0 HA PRO A 29 0.006 -7.849 -12.552 1.00 0.00 H new ATOM 0 HB2 PRO A 29 2.357 -9.223 -13.158 1.00 0.00 H new ATOM 0 HB3 PRO A 29 1.588 -9.401 -11.594 1.00 0.00 H new ATOM 0 HG2 PRO A 29 1.393 -11.206 -14.013 1.00 0.00 H new ATOM 0 HG3 PRO A 29 1.617 -11.648 -12.332 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -0.834 -11.811 -13.482 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -0.673 -11.339 -11.802 1.00 0.00 H new ATOM 451 N VAL A 30 0.451 -6.790 -14.668 1.00 0.00 N ATOM 452 CA VAL A 30 0.795 -6.048 -15.896 1.00 0.00 C ATOM 453 C VAL A 30 2.311 -6.154 -16.178 1.00 0.00 C ATOM 454 O VAL A 30 2.740 -6.238 -17.335 1.00 0.00 O ATOM 455 CB VAL A 30 0.338 -4.541 -15.794 1.00 0.00 C ATOM 456 CG1 VAL A 30 0.977 -3.829 -14.569 1.00 0.00 C ATOM 457 CG2 VAL A 30 0.602 -3.769 -17.117 1.00 0.00 C ATOM 0 H VAL A 30 0.200 -6.186 -13.885 1.00 0.00 H new ATOM 0 HA VAL A 30 0.259 -6.497 -16.732 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.740 -4.541 -15.636 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.639 -2.794 -14.533 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.678 -4.341 -13.654 1.00 0.00 H new ATOM 0 HG13 VAL A 30 2.063 -3.853 -14.660 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.274 -2.735 -17.007 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.668 -3.789 -17.344 1.00 0.00 H new ATOM 0 HG23 VAL A 30 0.049 -4.240 -17.930 1.00 0.00 H new ATOM 467 N GLU A 31 3.100 -6.160 -15.086 1.00 0.00 N ATOM 468 CA GLU A 31 4.561 -6.305 -15.114 1.00 0.00 C ATOM 469 C GLU A 31 4.947 -7.464 -14.187 1.00 0.00 C ATOM 470 O GLU A 31 4.381 -7.605 -13.093 1.00 0.00 O ATOM 471 CB GLU A 31 5.256 -4.994 -14.642 1.00 0.00 C ATOM 472 CG GLU A 31 4.979 -3.753 -15.513 1.00 0.00 C ATOM 473 CD GLU A 31 5.382 -3.945 -16.984 1.00 0.00 C ATOM 474 OE1 GLU A 31 6.548 -4.321 -17.246 1.00 0.00 O ATOM 475 OE2 GLU A 31 4.548 -3.701 -17.887 1.00 0.00 O ATOM 0 H GLU A 31 2.727 -6.062 -14.142 1.00 0.00 H new ATOM 0 HA GLU A 31 4.888 -6.508 -16.134 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.938 -4.780 -13.622 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.332 -5.163 -14.611 1.00 0.00 H new ATOM 0 HG2 GLU A 31 3.917 -3.511 -15.462 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.520 -2.901 -15.103 1.00 0.00 H new ATOM 482 N SER A 32 5.905 -8.287 -14.627 1.00 0.00 N ATOM 483 CA SER A 32 6.360 -9.464 -13.882 1.00 0.00 C ATOM 484 C SER A 32 7.882 -9.636 -14.032 1.00 0.00 C ATOM 485 O SER A 32 8.432 -9.516 -15.131 1.00 0.00 O ATOM 486 CB SER A 32 5.589 -10.718 -14.365 1.00 0.00 C ATOM 487 OG SER A 32 5.622 -10.844 -15.783 1.00 0.00 O ATOM 0 H SER A 32 6.389 -8.154 -15.515 1.00 0.00 H new ATOM 0 HA SER A 32 6.151 -9.328 -12.821 1.00 0.00 H new ATOM 0 HB2 SER A 32 6.022 -11.609 -13.911 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.554 -10.660 -14.029 1.00 0.00 H new ATOM 0 HG SER A 32 5.128 -11.646 -16.052 1.00 0.00 H new ATOM 493 N SER A 33 8.531 -9.918 -12.902 1.00 0.00 N ATOM 494 CA SER A 33 9.994 -10.049 -12.764 1.00 0.00 C ATOM 495 C SER A 33 10.294 -11.283 -11.864 1.00 0.00 C ATOM 496 O SER A 33 9.402 -11.701 -11.120 1.00 0.00 O ATOM 497 CB SER A 33 10.551 -8.742 -12.135 1.00 0.00 C ATOM 498 OG SER A 33 10.211 -7.600 -12.909 1.00 0.00 O ATOM 0 H SER A 33 8.040 -10.068 -12.021 1.00 0.00 H new ATOM 0 HA SER A 33 10.473 -10.198 -13.732 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.157 -8.628 -11.125 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.635 -8.813 -12.048 1.00 0.00 H new ATOM 0 HG SER A 33 10.576 -6.796 -12.483 1.00 0.00 H new ATOM 504 N PRO A 34 11.525 -11.913 -11.935 1.00 0.00 N ATOM 505 CA PRO A 34 11.879 -13.111 -11.111 1.00 0.00 C ATOM 506 C PRO A 34 11.553 -12.960 -9.599 1.00 0.00 C ATOM 507 O PRO A 34 11.047 -13.899 -8.975 1.00 0.00 O ATOM 508 CB PRO A 34 13.412 -13.300 -11.358 1.00 0.00 C ATOM 509 CG PRO A 34 13.852 -12.077 -12.120 1.00 0.00 C ATOM 510 CD PRO A 34 12.635 -11.569 -12.858 1.00 0.00 C ATOM 0 HA PRO A 34 11.285 -13.976 -11.405 1.00 0.00 H new ATOM 0 HB2 PRO A 34 13.953 -13.391 -10.416 1.00 0.00 H new ATOM 0 HB3 PRO A 34 13.609 -14.209 -11.927 1.00 0.00 H new ATOM 0 HG2 PRO A 34 14.240 -11.317 -11.442 1.00 0.00 H new ATOM 0 HG3 PRO A 34 14.654 -12.322 -12.817 1.00 0.00 H new ATOM 0 HD2 PRO A 34 12.691 -10.496 -13.041 1.00 0.00 H new ATOM 0 HD3 PRO A 34 12.519 -12.052 -13.828 1.00 0.00 H new ATOM 518 N THR A 35 11.829 -11.772 -9.031 1.00 0.00 N ATOM 519 CA THR A 35 11.638 -11.512 -7.588 1.00 0.00 C ATOM 520 C THR A 35 10.788 -10.236 -7.326 1.00 0.00 C ATOM 521 O THR A 35 10.804 -9.670 -6.221 1.00 0.00 O ATOM 522 CB THR A 35 13.038 -11.445 -6.878 1.00 0.00 C ATOM 523 OG1 THR A 35 12.883 -11.362 -5.453 1.00 0.00 O ATOM 524 CG2 THR A 35 13.890 -10.263 -7.389 1.00 0.00 C ATOM 0 H THR A 35 12.187 -10.971 -9.551 1.00 0.00 H new ATOM 0 HA THR A 35 11.069 -12.338 -7.161 1.00 0.00 H new ATOM 0 HB THR A 35 13.566 -12.366 -7.125 1.00 0.00 H new ATOM 0 HG1 THR A 35 13.604 -11.862 -5.016 1.00 0.00 H new ATOM 0 HG21 THR A 35 14.849 -10.255 -6.871 1.00 0.00 H new ATOM 0 HG22 THR A 35 14.057 -10.371 -8.461 1.00 0.00 H new ATOM 0 HG23 THR A 35 13.366 -9.327 -7.196 1.00 0.00 H new ATOM 532 N PHE A 36 9.990 -9.828 -8.330 1.00 0.00 N ATOM 533 CA PHE A 36 9.094 -8.650 -8.225 1.00 0.00 C ATOM 534 C PHE A 36 7.854 -8.860 -9.116 1.00 0.00 C ATOM 535 O PHE A 36 7.920 -9.566 -10.115 1.00 0.00 O ATOM 536 CB PHE A 36 9.845 -7.340 -8.621 1.00 0.00 C ATOM 537 CG PHE A 36 9.009 -6.049 -8.515 1.00 0.00 C ATOM 538 CD1 PHE A 36 8.830 -5.415 -7.286 1.00 0.00 C ATOM 539 CD2 PHE A 36 8.402 -5.478 -9.642 1.00 0.00 C ATOM 540 CE1 PHE A 36 8.079 -4.258 -7.182 1.00 0.00 C ATOM 541 CE2 PHE A 36 7.649 -4.319 -9.536 1.00 0.00 C ATOM 542 CZ PHE A 36 7.487 -3.709 -8.305 1.00 0.00 C ATOM 0 H PHE A 36 9.944 -10.299 -9.234 1.00 0.00 H new ATOM 0 HA PHE A 36 8.772 -8.546 -7.189 1.00 0.00 H new ATOM 0 HB2 PHE A 36 10.725 -7.238 -7.986 1.00 0.00 H new ATOM 0 HB3 PHE A 36 10.202 -7.440 -9.646 1.00 0.00 H new ATOM 0 HD1 PHE A 36 9.285 -5.834 -6.401 1.00 0.00 H new ATOM 0 HD2 PHE A 36 8.523 -5.948 -10.607 1.00 0.00 H new ATOM 0 HE1 PHE A 36 7.955 -3.782 -6.221 1.00 0.00 H new ATOM 0 HE2 PHE A 36 7.189 -3.892 -10.415 1.00 0.00 H new ATOM 0 HZ PHE A 36 6.900 -2.806 -8.221 1.00 0.00 H new ATOM 552 N SER A 37 6.737 -8.225 -8.743 1.00 0.00 N ATOM 553 CA SER A 37 5.478 -8.268 -9.503 1.00 0.00 C ATOM 554 C SER A 37 4.772 -6.909 -9.400 1.00 0.00 C ATOM 555 O SER A 37 5.012 -6.149 -8.458 1.00 0.00 O ATOM 556 CB SER A 37 4.567 -9.388 -8.963 1.00 0.00 C ATOM 557 OG SER A 37 5.222 -10.642 -8.993 1.00 0.00 O ATOM 0 H SER A 37 6.679 -7.660 -7.896 1.00 0.00 H new ATOM 0 HA SER A 37 5.697 -8.479 -10.550 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.268 -9.156 -7.941 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.655 -9.437 -9.558 1.00 0.00 H new ATOM 0 HG SER A 37 4.783 -11.256 -8.368 1.00 0.00 H new ATOM 563 N LEU A 38 3.902 -6.619 -10.369 1.00 0.00 N ATOM 564 CA LEU A 38 3.163 -5.351 -10.447 1.00 0.00 C ATOM 565 C LEU A 38 1.840 -5.607 -11.176 1.00 0.00 C ATOM 566 O LEU A 38 1.838 -6.112 -12.294 1.00 0.00 O ATOM 567 CB LEU A 38 4.042 -4.274 -11.154 1.00 0.00 C ATOM 568 CG LEU A 38 3.355 -2.941 -11.609 1.00 0.00 C ATOM 569 CD1 LEU A 38 2.490 -2.325 -10.499 1.00 0.00 C ATOM 570 CD2 LEU A 38 4.414 -1.931 -12.109 1.00 0.00 C ATOM 0 H LEU A 38 3.686 -7.262 -11.131 1.00 0.00 H new ATOM 0 HA LEU A 38 2.933 -4.966 -9.453 1.00 0.00 H new ATOM 0 HB2 LEU A 38 4.858 -4.015 -10.479 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.490 -4.735 -12.034 1.00 0.00 H new ATOM 0 HG LEU A 38 2.685 -3.184 -12.434 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.035 -1.403 -10.862 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.708 -3.029 -10.215 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.113 -2.105 -9.632 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.920 -1.011 -12.421 1.00 0.00 H new ATOM 0 HD22 LEU A 38 5.116 -1.711 -11.304 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.954 -2.358 -12.954 1.00 0.00 H new ATOM 582 N PHE A 39 0.730 -5.236 -10.524 1.00 0.00 N ATOM 583 CA PHE A 39 -0.631 -5.285 -11.090 1.00 0.00 C ATOM 584 C PHE A 39 -1.354 -3.952 -10.791 1.00 0.00 C ATOM 585 O PHE A 39 -1.587 -3.593 -9.634 1.00 0.00 O ATOM 586 CB PHE A 39 -1.425 -6.525 -10.550 1.00 0.00 C ATOM 587 CG PHE A 39 -1.047 -6.982 -9.143 1.00 0.00 C ATOM 588 CD1 PHE A 39 -1.380 -6.222 -8.029 1.00 0.00 C ATOM 589 CD2 PHE A 39 -0.345 -8.173 -8.937 1.00 0.00 C ATOM 590 CE1 PHE A 39 -1.033 -6.629 -6.768 1.00 0.00 C ATOM 591 CE2 PHE A 39 -0.005 -8.573 -7.671 1.00 0.00 C ATOM 592 CZ PHE A 39 -0.352 -7.795 -6.591 1.00 0.00 C ATOM 0 H PHE A 39 0.750 -4.885 -9.566 1.00 0.00 H new ATOM 0 HA PHE A 39 -0.571 -5.408 -12.171 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.489 -6.288 -10.563 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -1.276 -7.358 -11.237 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -1.921 -5.296 -8.159 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -0.068 -8.784 -9.783 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.300 -6.025 -5.913 1.00 0.00 H new ATOM 0 HE2 PHE A 39 0.534 -9.497 -7.522 1.00 0.00 H new ATOM 0 HZ PHE A 39 -0.082 -8.111 -5.594 1.00 0.00 H new ATOM 602 N VAL A 40 -1.661 -3.206 -11.861 1.00 0.00 N ATOM 603 CA VAL A 40 -2.456 -1.970 -11.791 1.00 0.00 C ATOM 604 C VAL A 40 -3.943 -2.297 -12.037 1.00 0.00 C ATOM 605 O VAL A 40 -4.279 -3.036 -12.966 1.00 0.00 O ATOM 606 CB VAL A 40 -1.945 -0.882 -12.822 1.00 0.00 C ATOM 607 CG1 VAL A 40 -1.850 -1.428 -14.265 1.00 0.00 C ATOM 608 CG2 VAL A 40 -2.809 0.411 -12.757 1.00 0.00 C ATOM 0 H VAL A 40 -1.363 -3.444 -12.807 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.338 -1.546 -10.794 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.930 -0.621 -12.523 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.495 -0.640 -14.929 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.154 -2.266 -14.292 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.834 -1.763 -14.593 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.432 1.137 -13.477 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.845 0.169 -12.995 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.756 0.834 -11.754 1.00 0.00 H new ATOM 618 N LEU A 41 -4.821 -1.756 -11.185 1.00 0.00 N ATOM 619 CA LEU A 41 -6.249 -2.121 -11.157 1.00 0.00 C ATOM 620 C LEU A 41 -7.044 -1.209 -12.099 1.00 0.00 C ATOM 621 O LEU A 41 -6.680 -0.042 -12.298 1.00 0.00 O ATOM 622 CB LEU A 41 -6.805 -2.038 -9.703 1.00 0.00 C ATOM 623 CG LEU A 41 -6.404 -3.209 -8.730 1.00 0.00 C ATOM 624 CD1 LEU A 41 -4.879 -3.317 -8.501 1.00 0.00 C ATOM 625 CD2 LEU A 41 -7.149 -3.078 -7.391 1.00 0.00 C ATOM 0 H LEU A 41 -4.565 -1.052 -10.493 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.356 -3.150 -11.501 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.470 -1.099 -9.263 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.893 -1.995 -9.756 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.706 -4.135 -9.219 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.671 -4.143 -7.821 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.380 -3.496 -9.453 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.510 -2.388 -8.067 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.859 -3.896 -6.732 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.893 -2.127 -6.924 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -8.224 -3.118 -7.567 1.00 0.00 H new ATOM 637 N ALA A 42 -8.143 -1.753 -12.660 1.00 0.00 N ATOM 638 CA ALA A 42 -9.057 -1.003 -13.551 1.00 0.00 C ATOM 639 C ALA A 42 -9.906 0.022 -12.761 1.00 0.00 C ATOM 640 O ALA A 42 -10.627 0.831 -13.356 1.00 0.00 O ATOM 641 CB ALA A 42 -9.953 -1.978 -14.338 1.00 0.00 C ATOM 0 H ALA A 42 -8.423 -2.722 -12.510 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.452 -0.440 -14.261 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -10.620 -1.414 -14.989 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -9.330 -2.638 -14.941 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -10.544 -2.573 -13.641 1.00 0.00 H new ATOM 647 N ASN A 43 -9.811 -0.027 -11.408 1.00 0.00 N ATOM 648 CA ASN A 43 -10.413 0.984 -10.511 1.00 0.00 C ATOM 649 C ASN A 43 -9.601 2.303 -10.569 1.00 0.00 C ATOM 650 O ASN A 43 -10.075 3.357 -10.128 1.00 0.00 O ATOM 651 CB ASN A 43 -10.495 0.439 -9.049 1.00 0.00 C ATOM 652 CG ASN A 43 -11.613 1.093 -8.220 1.00 0.00 C ATOM 653 OD1 ASN A 43 -12.732 0.593 -8.167 1.00 0.00 O ATOM 654 ND2 ASN A 43 -11.336 2.208 -7.592 1.00 0.00 N ATOM 0 H ASN A 43 -9.315 -0.768 -10.912 1.00 0.00 H new ATOM 0 HA ASN A 43 -11.428 1.193 -10.849 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -10.656 -0.639 -9.078 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -9.539 0.605 -8.552 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -12.057 2.678 -7.045 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -10.399 2.606 -7.650 1.00 0.00 H new ATOM 661 N GLY A 44 -8.368 2.220 -11.125 1.00 0.00 N ATOM 662 CA GLY A 44 -7.524 3.389 -11.399 1.00 0.00 C ATOM 663 C GLY A 44 -6.321 3.511 -10.470 1.00 0.00 C ATOM 664 O GLY A 44 -5.433 4.324 -10.727 1.00 0.00 O ATOM 0 H GLY A 44 -7.938 1.335 -11.393 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -7.172 3.338 -12.429 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -8.130 4.291 -11.314 1.00 0.00 H new ATOM 668 N MET A 45 -6.298 2.718 -9.381 1.00 0.00 N ATOM 669 CA MET A 45 -5.159 2.681 -8.433 1.00 0.00 C ATOM 670 C MET A 45 -4.092 1.681 -8.921 1.00 0.00 C ATOM 671 O MET A 45 -4.351 0.896 -9.847 1.00 0.00 O ATOM 672 CB MET A 45 -5.676 2.313 -7.016 1.00 0.00 C ATOM 673 CG MET A 45 -6.209 0.868 -6.862 1.00 0.00 C ATOM 674 SD MET A 45 -4.907 -0.362 -6.604 1.00 0.00 S ATOM 675 CE MET A 45 -4.284 0.091 -4.980 1.00 0.00 C ATOM 0 H MET A 45 -7.061 2.088 -9.132 1.00 0.00 H new ATOM 0 HA MET A 45 -4.691 3.664 -8.383 1.00 0.00 H new ATOM 0 HB2 MET A 45 -4.866 2.462 -6.302 1.00 0.00 H new ATOM 0 HB3 MET A 45 -6.472 3.007 -6.746 1.00 0.00 H new ATOM 0 HG2 MET A 45 -6.902 0.833 -6.021 1.00 0.00 H new ATOM 0 HG3 MET A 45 -6.777 0.602 -7.754 1.00 0.00 H new ATOM 0 HE1 MET A 45 -3.767 -0.761 -4.538 1.00 0.00 H new ATOM 0 HE2 MET A 45 -3.590 0.926 -5.076 1.00 0.00 H new ATOM 0 HE3 MET A 45 -5.116 0.383 -4.339 1.00 0.00 H new ATOM 685 N LYS A 46 -2.907 1.687 -8.285 1.00 0.00 N ATOM 686 CA LYS A 46 -1.778 0.829 -8.703 1.00 0.00 C ATOM 687 C LYS A 46 -1.174 0.091 -7.487 1.00 0.00 C ATOM 688 O LYS A 46 -1.014 0.686 -6.415 1.00 0.00 O ATOM 689 CB LYS A 46 -0.724 1.692 -9.458 1.00 0.00 C ATOM 690 CG LYS A 46 0.272 0.866 -10.319 1.00 0.00 C ATOM 691 CD LYS A 46 0.876 1.670 -11.501 1.00 0.00 C ATOM 692 CE LYS A 46 1.797 0.811 -12.388 1.00 0.00 C ATOM 693 NZ LYS A 46 2.291 1.536 -13.590 1.00 0.00 N ATOM 0 H LYS A 46 -2.704 2.277 -7.478 1.00 0.00 H new ATOM 0 HA LYS A 46 -2.134 0.060 -9.388 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.244 2.400 -10.103 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.161 2.277 -8.731 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.081 0.507 -9.682 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.240 -0.013 -10.711 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.069 2.078 -12.109 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.440 2.517 -11.110 1.00 0.00 H new ATOM 0 HE2 LYS A 46 2.650 0.475 -11.798 1.00 0.00 H new ATOM 0 HE3 LYS A 46 1.257 -0.081 -12.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 2.905 0.907 -14.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 1.482 1.835 -14.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 2.832 2.373 -13.293 1.00 0.00 H new ATOM 707 N LEU A 47 -0.841 -1.211 -7.667 1.00 0.00 N ATOM 708 CA LEU A 47 -0.437 -2.104 -6.553 1.00 0.00 C ATOM 709 C LEU A 47 0.799 -2.957 -6.964 1.00 0.00 C ATOM 710 O LEU A 47 0.820 -3.548 -8.045 1.00 0.00 O ATOM 711 CB LEU A 47 -1.658 -3.003 -6.150 1.00 0.00 C ATOM 712 CG LEU A 47 -1.858 -3.319 -4.627 1.00 0.00 C ATOM 713 CD1 LEU A 47 -3.157 -4.120 -4.415 1.00 0.00 C ATOM 714 CD2 LEU A 47 -0.646 -4.052 -4.002 1.00 0.00 C ATOM 0 H LEU A 47 -0.845 -1.668 -8.579 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.144 -1.511 -5.687 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.565 -2.520 -6.514 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.566 -3.951 -6.680 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.939 -2.364 -4.108 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.284 -4.333 -3.354 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.006 -3.537 -4.772 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.101 -5.057 -4.969 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.842 -4.244 -2.947 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.486 -4.998 -4.520 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.244 -3.431 -4.099 1.00 0.00 H new ATOM 726 N GLY A 48 1.830 -2.977 -6.094 1.00 0.00 N ATOM 727 CA GLY A 48 3.058 -3.759 -6.304 1.00 0.00 C ATOM 728 C GLY A 48 3.135 -4.961 -5.378 1.00 0.00 C ATOM 729 O GLY A 48 2.418 -5.034 -4.376 1.00 0.00 O ATOM 0 H GLY A 48 1.830 -2.447 -5.223 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.100 -4.096 -7.340 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.926 -3.120 -6.141 1.00 0.00 H new ATOM 733 N LEU A 49 4.064 -5.875 -5.698 1.00 0.00 N ATOM 734 CA LEU A 49 4.518 -6.952 -4.802 1.00 0.00 C ATOM 735 C LEU A 49 6.041 -7.028 -4.909 1.00 0.00 C ATOM 736 O LEU A 49 6.578 -7.485 -5.923 1.00 0.00 O ATOM 737 CB LEU A 49 3.890 -8.336 -5.133 1.00 0.00 C ATOM 738 CG LEU A 49 2.411 -8.563 -4.717 1.00 0.00 C ATOM 739 CD1 LEU A 49 2.011 -10.037 -4.889 1.00 0.00 C ATOM 740 CD2 LEU A 49 2.107 -8.071 -3.286 1.00 0.00 C ATOM 0 H LEU A 49 4.531 -5.887 -6.605 1.00 0.00 H new ATOM 0 HA LEU A 49 4.195 -6.715 -3.788 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.966 -8.493 -6.209 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.497 -9.105 -4.655 1.00 0.00 H new ATOM 0 HG LEU A 49 1.803 -7.957 -5.389 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.971 -10.169 -4.591 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.129 -10.326 -5.933 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.649 -10.662 -4.265 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.059 -8.256 -3.053 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.737 -8.606 -2.576 1.00 0.00 H new ATOM 0 HD23 LEU A 49 2.310 -7.002 -3.218 1.00 0.00 H new ATOM 752 N TRP A 50 6.719 -6.567 -3.865 1.00 0.00 N ATOM 753 CA TRP A 50 8.180 -6.519 -3.799 1.00 0.00 C ATOM 754 C TRP A 50 8.648 -7.564 -2.782 1.00 0.00 C ATOM 755 O TRP A 50 8.133 -7.603 -1.666 1.00 0.00 O ATOM 756 CB TRP A 50 8.610 -5.088 -3.374 1.00 0.00 C ATOM 757 CG TRP A 50 10.032 -4.695 -3.702 1.00 0.00 C ATOM 758 CD1 TRP A 50 11.165 -5.432 -3.539 1.00 0.00 C ATOM 759 CD2 TRP A 50 10.458 -3.433 -4.234 1.00 0.00 C ATOM 760 NE1 TRP A 50 12.258 -4.708 -3.927 1.00 0.00 N ATOM 761 CE2 TRP A 50 11.852 -3.477 -4.347 1.00 0.00 C ATOM 762 CE3 TRP A 50 9.789 -2.278 -4.622 1.00 0.00 C ATOM 763 CZ2 TRP A 50 12.595 -2.407 -4.814 1.00 0.00 C ATOM 764 CZ3 TRP A 50 10.522 -1.210 -5.092 1.00 0.00 C ATOM 765 CH2 TRP A 50 11.918 -1.283 -5.187 1.00 0.00 C ATOM 0 H TRP A 50 6.264 -6.209 -3.025 1.00 0.00 H new ATOM 0 HA TRP A 50 8.631 -6.742 -4.766 1.00 0.00 H new ATOM 0 HB2 TRP A 50 7.938 -4.373 -3.849 1.00 0.00 H new ATOM 0 HB3 TRP A 50 8.468 -4.993 -2.298 1.00 0.00 H new ATOM 0 HD1 TRP A 50 11.196 -6.442 -3.158 1.00 0.00 H new ATOM 0 HE1 TRP A 50 13.223 -5.037 -3.905 1.00 0.00 H new ATOM 0 HE3 TRP A 50 8.713 -2.219 -4.556 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 13.672 -2.460 -4.881 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 10.014 -0.305 -5.391 1.00 0.00 H new ATOM 0 HH2 TRP A 50 12.469 -0.433 -5.563 1.00 0.00 H new ATOM 776 N SER A 51 9.607 -8.419 -3.169 1.00 0.00 N ATOM 777 CA SER A 51 10.174 -9.409 -2.251 1.00 0.00 C ATOM 778 C SER A 51 11.083 -8.719 -1.210 1.00 0.00 C ATOM 779 O SER A 51 11.952 -7.920 -1.575 1.00 0.00 O ATOM 780 CB SER A 51 10.924 -10.504 -3.024 1.00 0.00 C ATOM 781 OG SER A 51 10.053 -11.182 -3.916 1.00 0.00 O ATOM 0 H SER A 51 10.003 -8.442 -4.109 1.00 0.00 H new ATOM 0 HA SER A 51 9.360 -9.893 -1.712 1.00 0.00 H new ATOM 0 HB2 SER A 51 11.749 -10.061 -3.582 1.00 0.00 H new ATOM 0 HB3 SER A 51 11.359 -11.216 -2.323 1.00 0.00 H new ATOM 0 HG SER A 51 10.148 -10.805 -4.816 1.00 0.00 H new ATOM 787 N ARG A 52 10.868 -9.026 0.081 1.00 0.00 N ATOM 788 CA ARG A 52 11.509 -8.312 1.205 1.00 0.00 C ATOM 789 C ARG A 52 13.043 -8.540 1.276 1.00 0.00 C ATOM 790 O ARG A 52 13.751 -7.769 1.929 1.00 0.00 O ATOM 791 CB ARG A 52 10.842 -8.724 2.548 1.00 0.00 C ATOM 792 CG ARG A 52 11.088 -10.194 2.961 1.00 0.00 C ATOM 793 CD ARG A 52 10.586 -10.532 4.374 1.00 0.00 C ATOM 794 NE ARG A 52 11.127 -11.820 4.844 1.00 0.00 N ATOM 795 CZ ARG A 52 11.232 -12.199 6.124 1.00 0.00 C ATOM 796 NH1 ARG A 52 10.734 -11.455 7.102 1.00 0.00 N ATOM 797 NH2 ARG A 52 11.829 -13.334 6.410 1.00 0.00 N ATOM 0 H ARG A 52 10.244 -9.777 0.377 1.00 0.00 H new ATOM 0 HA ARG A 52 11.360 -7.247 1.028 1.00 0.00 H new ATOM 0 HB2 ARG A 52 11.212 -8.071 3.338 1.00 0.00 H new ATOM 0 HB3 ARG A 52 9.768 -8.556 2.472 1.00 0.00 H new ATOM 0 HG2 ARG A 52 10.596 -10.851 2.244 1.00 0.00 H new ATOM 0 HG3 ARG A 52 12.156 -10.404 2.905 1.00 0.00 H new ATOM 0 HD2 ARG A 52 10.877 -9.740 5.064 1.00 0.00 H new ATOM 0 HD3 ARG A 52 9.497 -10.571 4.375 1.00 0.00 H new ATOM 0 HE ARG A 52 11.449 -12.478 4.134 1.00 0.00 H new ATOM 0 HH11 ARG A 52 10.261 -10.578 6.885 1.00 0.00 H new ATOM 0 HH12 ARG A 52 10.824 -11.760 8.071 1.00 0.00 H new ATOM 0 HH21 ARG A 52 12.206 -13.915 5.661 1.00 0.00 H new ATOM 0 HH22 ARG A 52 11.916 -13.634 7.381 1.00 0.00 H new ATOM 811 N HIS A 53 13.543 -9.607 0.612 1.00 0.00 N ATOM 812 CA HIS A 53 14.994 -9.906 0.554 1.00 0.00 C ATOM 813 C HIS A 53 15.715 -8.957 -0.432 1.00 0.00 C ATOM 814 O HIS A 53 16.926 -8.743 -0.325 1.00 0.00 O ATOM 815 CB HIS A 53 15.262 -11.394 0.175 1.00 0.00 C ATOM 816 CG HIS A 53 15.041 -11.763 -1.273 1.00 0.00 C ATOM 817 ND1 HIS A 53 16.070 -11.853 -2.188 1.00 0.00 N ATOM 818 CD2 HIS A 53 13.926 -12.107 -1.949 1.00 0.00 C ATOM 819 CE1 HIS A 53 15.596 -12.243 -3.350 1.00 0.00 C ATOM 820 NE2 HIS A 53 14.296 -12.403 -3.234 1.00 0.00 N ATOM 0 H HIS A 53 12.962 -10.277 0.108 1.00 0.00 H new ATOM 0 HA HIS A 53 15.398 -9.741 1.553 1.00 0.00 H new ATOM 0 HB2 HIS A 53 16.293 -11.634 0.436 1.00 0.00 H new ATOM 0 HB3 HIS A 53 14.622 -12.025 0.791 1.00 0.00 H new ATOM 0 HD1 HIS A 53 17.050 -11.648 -1.992 1.00 0.00 H new ATOM 0 HD2 HIS A 53 12.923 -12.143 -1.550 1.00 0.00 H new ATOM 0 HE1 HIS A 53 16.175 -12.405 -4.247 1.00 0.00 H new ATOM 829 N THR A 54 14.950 -8.404 -1.400 1.00 0.00 N ATOM 830 CA THR A 54 15.483 -7.519 -2.457 1.00 0.00 C ATOM 831 C THR A 54 14.901 -6.087 -2.345 1.00 0.00 C ATOM 832 O THR A 54 15.150 -5.245 -3.217 1.00 0.00 O ATOM 833 CB THR A 54 15.209 -8.143 -3.881 1.00 0.00 C ATOM 834 OG1 THR A 54 15.857 -7.381 -4.912 1.00 0.00 O ATOM 835 CG2 THR A 54 13.707 -8.244 -4.207 1.00 0.00 C ATOM 0 H THR A 54 13.944 -8.560 -1.469 1.00 0.00 H new ATOM 0 HA THR A 54 16.561 -7.436 -2.321 1.00 0.00 H new ATOM 0 HB THR A 54 15.620 -9.152 -3.849 1.00 0.00 H new ATOM 0 HG1 THR A 54 15.829 -6.429 -4.682 1.00 0.00 H new ATOM 0 HG21 THR A 54 13.578 -8.680 -5.198 1.00 0.00 H new ATOM 0 HG22 THR A 54 13.216 -8.875 -3.466 1.00 0.00 H new ATOM 0 HG23 THR A 54 13.263 -7.249 -4.188 1.00 0.00 H new ATOM 843 N VAL A 55 14.127 -5.807 -1.272 1.00 0.00 N ATOM 844 CA VAL A 55 13.580 -4.450 -1.017 1.00 0.00 C ATOM 845 C VAL A 55 14.713 -3.501 -0.576 1.00 0.00 C ATOM 846 O VAL A 55 15.737 -3.960 -0.061 1.00 0.00 O ATOM 847 CB VAL A 55 12.381 -4.464 0.021 1.00 0.00 C ATOM 848 CG1 VAL A 55 12.856 -4.728 1.472 1.00 0.00 C ATOM 849 CG2 VAL A 55 11.531 -3.164 -0.078 1.00 0.00 C ATOM 0 H VAL A 55 13.866 -6.499 -0.569 1.00 0.00 H new ATOM 0 HA VAL A 55 13.159 -4.077 -1.951 1.00 0.00 H new ATOM 0 HB VAL A 55 11.739 -5.302 -0.251 1.00 0.00 H new ATOM 0 HG11 VAL A 55 11.996 -4.727 2.142 1.00 0.00 H new ATOM 0 HG12 VAL A 55 13.354 -5.696 1.521 1.00 0.00 H new ATOM 0 HG13 VAL A 55 13.553 -3.946 1.775 1.00 0.00 H new ATOM 0 HG21 VAL A 55 10.718 -3.205 0.646 1.00 0.00 H new ATOM 0 HG22 VAL A 55 12.161 -2.300 0.133 1.00 0.00 H new ATOM 0 HG23 VAL A 55 11.118 -3.075 -1.083 1.00 0.00 H new ATOM 859 N GLU A 56 14.566 -2.194 -0.852 1.00 0.00 N ATOM 860 CA GLU A 56 15.590 -1.180 -0.518 1.00 0.00 C ATOM 861 C GLU A 56 14.956 0.025 0.225 1.00 0.00 C ATOM 862 O GLU A 56 14.110 0.706 -0.347 1.00 0.00 O ATOM 863 CB GLU A 56 16.368 -0.748 -1.796 1.00 0.00 C ATOM 864 CG GLU A 56 17.486 -1.746 -2.204 1.00 0.00 C ATOM 865 CD GLU A 56 18.490 -1.198 -3.233 1.00 0.00 C ATOM 866 OE1 GLU A 56 18.978 -0.059 -3.049 1.00 0.00 O ATOM 867 OE2 GLU A 56 18.842 -1.920 -4.198 1.00 0.00 O ATOM 0 H GLU A 56 13.740 -1.809 -1.310 1.00 0.00 H new ATOM 0 HA GLU A 56 16.314 -1.624 0.165 1.00 0.00 H new ATOM 0 HB2 GLU A 56 15.665 -0.644 -2.622 1.00 0.00 H new ATOM 0 HB3 GLU A 56 16.811 0.234 -1.628 1.00 0.00 H new ATOM 0 HG2 GLU A 56 18.031 -2.047 -1.309 1.00 0.00 H new ATOM 0 HG3 GLU A 56 17.022 -2.644 -2.611 1.00 0.00 H new ATOM 874 N PRO A 57 15.344 0.311 1.530 1.00 0.00 N ATOM 875 CA PRO A 57 16.352 -0.453 2.309 1.00 0.00 C ATOM 876 C PRO A 57 15.791 -1.812 2.761 1.00 0.00 C ATOM 877 O PRO A 57 14.604 -1.908 3.112 1.00 0.00 O ATOM 878 CB PRO A 57 16.680 0.472 3.527 1.00 0.00 C ATOM 879 CG PRO A 57 15.966 1.762 3.239 1.00 0.00 C ATOM 880 CD PRO A 57 14.800 1.403 2.355 1.00 0.00 C ATOM 0 HA PRO A 57 17.241 -0.690 1.724 1.00 0.00 H new ATOM 0 HB2 PRO A 57 16.335 0.030 4.462 1.00 0.00 H new ATOM 0 HB3 PRO A 57 17.754 0.629 3.625 1.00 0.00 H new ATOM 0 HG2 PRO A 57 15.626 2.234 4.161 1.00 0.00 H new ATOM 0 HG3 PRO A 57 16.628 2.472 2.743 1.00 0.00 H new ATOM 0 HD2 PRO A 57 13.936 1.080 2.936 1.00 0.00 H new ATOM 0 HD3 PRO A 57 14.478 2.248 1.747 1.00 0.00 H new ATOM 888 N LYS A 58 16.643 -2.850 2.703 1.00 0.00 N ATOM 889 CA LYS A 58 16.248 -4.231 2.996 1.00 0.00 C ATOM 890 C LYS A 58 15.732 -4.338 4.445 1.00 0.00 C ATOM 891 O LYS A 58 16.494 -4.191 5.410 1.00 0.00 O ATOM 892 CB LYS A 58 17.425 -5.213 2.700 1.00 0.00 C ATOM 893 CG LYS A 58 17.014 -6.701 2.501 1.00 0.00 C ATOM 894 CD LYS A 58 16.720 -7.473 3.809 1.00 0.00 C ATOM 895 CE LYS A 58 17.945 -7.553 4.732 1.00 0.00 C ATOM 896 NZ LYS A 58 19.101 -8.211 4.057 1.00 0.00 N ATOM 0 H LYS A 58 17.626 -2.751 2.451 1.00 0.00 H new ATOM 0 HA LYS A 58 15.427 -4.521 2.340 1.00 0.00 H new ATOM 0 HB2 LYS A 58 17.944 -4.873 1.803 1.00 0.00 H new ATOM 0 HB3 LYS A 58 18.139 -5.157 3.522 1.00 0.00 H new ATOM 0 HG2 LYS A 58 16.128 -6.737 1.867 1.00 0.00 H new ATOM 0 HG3 LYS A 58 17.811 -7.215 1.964 1.00 0.00 H new ATOM 0 HD2 LYS A 58 15.901 -6.986 4.339 1.00 0.00 H new ATOM 0 HD3 LYS A 58 16.386 -8.482 3.565 1.00 0.00 H new ATOM 0 HE2 LYS A 58 18.230 -6.549 5.046 1.00 0.00 H new ATOM 0 HE3 LYS A 58 17.686 -8.108 5.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 19.848 -8.401 4.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 18.790 -9.107 3.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 19.472 -7.585 3.314 1.00 0.00 H new ATOM 910 N ALA A 59 14.421 -4.558 4.552 1.00 0.00 N ATOM 911 CA ALA A 59 13.710 -4.711 5.809 1.00 0.00 C ATOM 912 C ALA A 59 13.311 -6.183 5.965 1.00 0.00 C ATOM 913 O ALA A 59 12.443 -6.681 5.230 1.00 0.00 O ATOM 914 CB ALA A 59 12.478 -3.788 5.796 1.00 0.00 C ATOM 0 H ALA A 59 13.812 -4.636 3.738 1.00 0.00 H new ATOM 0 HA ALA A 59 14.336 -4.431 6.656 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.935 -3.893 6.735 1.00 0.00 H new ATOM 0 HB2 ALA A 59 12.800 -2.753 5.677 1.00 0.00 H new ATOM 0 HB3 ALA A 59 11.826 -4.063 4.967 1.00 0.00 H new ATOM 920 N SER A 60 13.977 -6.883 6.894 1.00 0.00 N ATOM 921 CA SER A 60 13.630 -8.259 7.249 1.00 0.00 C ATOM 922 C SER A 60 12.451 -8.221 8.238 1.00 0.00 C ATOM 923 O SER A 60 12.637 -8.215 9.458 1.00 0.00 O ATOM 924 CB SER A 60 14.878 -8.977 7.824 1.00 0.00 C ATOM 925 OG SER A 60 15.518 -8.202 8.824 1.00 0.00 O ATOM 0 H SER A 60 14.769 -6.509 7.417 1.00 0.00 H new ATOM 0 HA SER A 60 13.316 -8.829 6.374 1.00 0.00 H new ATOM 0 HB2 SER A 60 14.583 -9.939 8.243 1.00 0.00 H new ATOM 0 HB3 SER A 60 15.582 -9.183 7.018 1.00 0.00 H new ATOM 0 HG SER A 60 14.852 -7.885 9.469 1.00 0.00 H new ATOM 931 N VAL A 61 11.230 -8.164 7.675 1.00 0.00 N ATOM 932 CA VAL A 61 9.977 -7.970 8.433 1.00 0.00 C ATOM 933 C VAL A 61 8.857 -8.820 7.804 1.00 0.00 C ATOM 934 O VAL A 61 8.836 -8.993 6.589 1.00 0.00 O ATOM 935 CB VAL A 61 9.568 -6.431 8.470 1.00 0.00 C ATOM 936 CG1 VAL A 61 9.514 -5.810 7.048 1.00 0.00 C ATOM 937 CG2 VAL A 61 8.239 -6.188 9.242 1.00 0.00 C ATOM 0 H VAL A 61 11.083 -8.252 6.670 1.00 0.00 H new ATOM 0 HA VAL A 61 10.132 -8.294 9.462 1.00 0.00 H new ATOM 0 HB VAL A 61 10.356 -5.920 9.022 1.00 0.00 H new ATOM 0 HG11 VAL A 61 9.231 -4.760 7.120 1.00 0.00 H new ATOM 0 HG12 VAL A 61 10.494 -5.890 6.578 1.00 0.00 H new ATOM 0 HG13 VAL A 61 8.778 -6.343 6.446 1.00 0.00 H new ATOM 0 HG21 VAL A 61 8.005 -5.123 9.238 1.00 0.00 H new ATOM 0 HG22 VAL A 61 7.432 -6.739 8.759 1.00 0.00 H new ATOM 0 HG23 VAL A 61 8.348 -6.532 10.271 1.00 0.00 H new ATOM 947 N THR A 62 7.994 -9.404 8.664 1.00 0.00 N ATOM 948 CA THR A 62 6.748 -10.117 8.277 1.00 0.00 C ATOM 949 C THR A 62 5.826 -10.212 9.509 1.00 0.00 C ATOM 950 O THR A 62 6.311 -10.410 10.631 1.00 0.00 O ATOM 951 CB THR A 62 6.991 -11.575 7.690 1.00 0.00 C ATOM 952 OG1 THR A 62 8.102 -12.207 8.352 1.00 0.00 O ATOM 953 CG2 THR A 62 7.220 -11.574 6.160 1.00 0.00 C ATOM 0 H THR A 62 8.145 -9.395 9.673 1.00 0.00 H new ATOM 0 HA THR A 62 6.292 -9.537 7.475 1.00 0.00 H new ATOM 0 HB THR A 62 6.080 -12.143 7.880 1.00 0.00 H new ATOM 0 HG1 THR A 62 8.237 -13.104 7.980 1.00 0.00 H new ATOM 0 HG21 THR A 62 7.380 -12.596 5.815 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.345 -11.156 5.661 1.00 0.00 H new ATOM 0 HG23 THR A 62 8.096 -10.970 5.924 1.00 0.00 H new ATOM 961 N GLY A 63 4.506 -10.065 9.294 1.00 0.00 N ATOM 962 CA GLY A 63 3.523 -10.178 10.381 1.00 0.00 C ATOM 963 C GLY A 63 2.236 -9.428 10.081 1.00 0.00 C ATOM 964 O GLY A 63 1.142 -9.904 10.405 1.00 0.00 O ATOM 0 H GLY A 63 4.099 -9.868 8.380 1.00 0.00 H new ATOM 0 HA2 GLY A 63 3.295 -11.230 10.553 1.00 0.00 H new ATOM 0 HA3 GLY A 63 3.959 -9.792 11.302 1.00 0.00 H new ATOM 968 N GLY A 64 2.375 -8.248 9.461 1.00 0.00 N ATOM 969 CA GLY A 64 1.233 -7.412 9.114 1.00 0.00 C ATOM 970 C GLY A 64 1.668 -6.184 8.327 1.00 0.00 C ATOM 971 O GLY A 64 1.565 -6.159 7.092 1.00 0.00 O ATOM 0 H GLY A 64 3.277 -7.855 9.191 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.521 -7.991 8.526 1.00 0.00 H new ATOM 0 HA3 GLY A 64 0.717 -7.101 10.023 1.00 0.00 H new ATOM 975 N GLY A 65 2.219 -5.190 9.046 1.00 0.00 N ATOM 976 CA GLY A 65 2.628 -3.919 8.448 1.00 0.00 C ATOM 977 C GLY A 65 1.428 -3.020 8.192 1.00 0.00 C ATOM 978 O GLY A 65 0.550 -2.909 9.053 1.00 0.00 O ATOM 0 H GLY A 65 2.390 -5.250 10.050 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.331 -3.412 9.110 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.151 -4.107 7.511 1.00 0.00 H new ATOM 982 N GLY A 66 1.399 -2.366 7.015 1.00 0.00 N ATOM 983 CA GLY A 66 0.262 -1.537 6.607 1.00 0.00 C ATOM 984 C GLY A 66 -0.926 -2.377 6.147 1.00 0.00 C ATOM 985 O GLY A 66 -0.777 -3.587 5.906 1.00 0.00 O ATOM 0 H GLY A 66 2.156 -2.400 6.332 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.043 -0.905 7.441 1.00 0.00 H new ATOM 0 HA3 GLY A 66 0.570 -0.873 5.800 1.00 0.00 H new ATOM 989 N GLU A 67 -2.106 -1.743 6.003 1.00 0.00 N ATOM 990 CA GLU A 67 -3.338 -2.437 5.592 1.00 0.00 C ATOM 991 C GLU A 67 -3.657 -2.138 4.122 1.00 0.00 C ATOM 992 O GLU A 67 -3.293 -1.080 3.592 1.00 0.00 O ATOM 993 CB GLU A 67 -4.544 -2.036 6.492 1.00 0.00 C ATOM 994 CG GLU A 67 -4.288 -2.188 8.012 1.00 0.00 C ATOM 995 CD GLU A 67 -5.584 -2.332 8.837 1.00 0.00 C ATOM 996 OE1 GLU A 67 -6.330 -1.338 8.977 1.00 0.00 O ATOM 997 OE2 GLU A 67 -5.881 -3.455 9.323 1.00 0.00 O ATOM 0 H GLU A 67 -2.230 -0.744 6.167 1.00 0.00 H new ATOM 0 HA GLU A 67 -3.169 -3.507 5.710 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.809 -1.000 6.283 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.405 -2.646 6.218 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.658 -3.061 8.182 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -3.733 -1.320 8.369 1.00 0.00 H new ATOM 1004 N LEU A 68 -4.349 -3.086 3.478 1.00 0.00 N ATOM 1005 CA LEU A 68 -4.803 -2.970 2.097 1.00 0.00 C ATOM 1006 C LEU A 68 -6.333 -3.020 2.108 1.00 0.00 C ATOM 1007 O LEU A 68 -6.910 -4.104 2.220 1.00 0.00 O ATOM 1008 CB LEU A 68 -4.196 -4.116 1.236 1.00 0.00 C ATOM 1009 CG LEU A 68 -4.539 -4.094 -0.285 1.00 0.00 C ATOM 1010 CD1 LEU A 68 -4.057 -2.791 -0.963 1.00 0.00 C ATOM 1011 CD2 LEU A 68 -3.979 -5.351 -0.989 1.00 0.00 C ATOM 0 H LEU A 68 -4.611 -3.970 3.915 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.473 -2.031 1.653 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.112 -4.086 1.343 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.531 -5.068 1.648 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.624 -4.113 -0.384 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.315 -2.815 -2.022 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.540 -1.935 -0.491 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.976 -2.703 -0.855 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.229 -5.316 -2.049 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.896 -5.381 -0.873 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.417 -6.244 -0.542 1.00 0.00 H new ATOM 1023 N ALA A 69 -6.987 -1.856 2.046 1.00 0.00 N ATOM 1024 CA ALA A 69 -8.440 -1.753 2.268 1.00 0.00 C ATOM 1025 C ALA A 69 -9.219 -1.893 0.950 1.00 0.00 C ATOM 1026 O ALA A 69 -9.112 -1.054 0.045 1.00 0.00 O ATOM 1027 CB ALA A 69 -8.779 -0.449 3.005 1.00 0.00 C ATOM 0 H ALA A 69 -6.534 -0.965 1.843 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.751 -2.582 2.904 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -9.856 -0.389 3.161 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -8.271 -0.434 3.969 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.451 0.402 2.408 1.00 0.00 H new ATOM 1033 N PHE A 70 -9.994 -2.980 0.872 1.00 0.00 N ATOM 1034 CA PHE A 70 -10.843 -3.323 -0.261 1.00 0.00 C ATOM 1035 C PHE A 70 -12.217 -2.673 -0.063 1.00 0.00 C ATOM 1036 O PHE A 70 -12.873 -2.882 0.963 1.00 0.00 O ATOM 1037 CB PHE A 70 -11.007 -4.860 -0.356 1.00 0.00 C ATOM 1038 CG PHE A 70 -9.779 -5.676 -0.770 1.00 0.00 C ATOM 1039 CD1 PHE A 70 -8.587 -5.616 -0.054 1.00 0.00 C ATOM 1040 CD2 PHE A 70 -9.840 -6.539 -1.859 1.00 0.00 C ATOM 1041 CE1 PHE A 70 -7.503 -6.385 -0.408 1.00 0.00 C ATOM 1042 CE2 PHE A 70 -8.755 -7.302 -2.220 1.00 0.00 C ATOM 1043 CZ PHE A 70 -7.587 -7.223 -1.491 1.00 0.00 C ATOM 0 H PHE A 70 -10.045 -3.666 1.625 1.00 0.00 H new ATOM 0 HA PHE A 70 -10.386 -2.960 -1.182 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -11.341 -5.224 0.616 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -11.806 -5.070 -1.067 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -8.512 -4.953 0.795 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -10.754 -6.611 -2.430 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -6.589 -6.329 0.165 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -8.817 -7.962 -3.073 1.00 0.00 H new ATOM 0 HZ PHE A 70 -6.735 -7.823 -1.774 1.00 0.00 H new ATOM 1053 N ARG A 71 -12.614 -1.846 -1.034 1.00 0.00 N ATOM 1054 CA ARG A 71 -13.885 -1.113 -0.991 1.00 0.00 C ATOM 1055 C ARG A 71 -14.975 -1.806 -1.823 1.00 0.00 C ATOM 1056 O ARG A 71 -14.759 -2.191 -2.982 1.00 0.00 O ATOM 1057 CB ARG A 71 -13.679 0.331 -1.501 1.00 0.00 C ATOM 1058 CG ARG A 71 -12.611 1.123 -0.719 1.00 0.00 C ATOM 1059 CD ARG A 71 -12.797 2.637 -0.849 1.00 0.00 C ATOM 1060 NE ARG A 71 -12.329 3.190 -2.131 1.00 0.00 N ATOM 1061 CZ ARG A 71 -12.576 4.443 -2.558 1.00 0.00 C ATOM 1062 NH1 ARG A 71 -13.455 5.226 -1.927 1.00 0.00 N ATOM 1063 NH2 ARG A 71 -11.979 4.895 -3.639 1.00 0.00 N ATOM 0 H ARG A 71 -12.064 -1.665 -1.873 1.00 0.00 H new ATOM 0 HA ARG A 71 -14.219 -1.095 0.046 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -13.395 0.297 -2.553 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -14.628 0.865 -1.444 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -12.653 0.843 0.334 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -11.621 0.849 -1.082 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -13.854 2.875 -0.727 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -12.263 3.129 -0.036 1.00 0.00 H new ATOM 0 HE ARG A 71 -11.779 2.582 -2.738 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -13.952 4.877 -1.107 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -13.629 6.173 -2.265 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -11.331 4.297 -4.152 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -12.164 5.844 -3.965 1.00 0.00 H new ATOM 1077 N VAL A 72 -16.136 -1.984 -1.166 1.00 0.00 N ATOM 1078 CA VAL A 72 -17.357 -2.588 -1.754 1.00 0.00 C ATOM 1079 C VAL A 72 -18.588 -1.709 -1.473 1.00 0.00 C ATOM 1080 O VAL A 72 -18.541 -0.808 -0.625 1.00 0.00 O ATOM 1081 CB VAL A 72 -17.657 -4.022 -1.169 1.00 0.00 C ATOM 1082 CG1 VAL A 72 -16.577 -5.051 -1.541 1.00 0.00 C ATOM 1083 CG2 VAL A 72 -17.877 -3.978 0.362 1.00 0.00 C ATOM 0 H VAL A 72 -16.259 -1.708 -0.192 1.00 0.00 H new ATOM 0 HA VAL A 72 -17.168 -2.666 -2.825 1.00 0.00 H new ATOM 0 HB VAL A 72 -18.585 -4.354 -1.635 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -16.834 -6.020 -1.112 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -16.516 -5.139 -2.626 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -15.614 -4.725 -1.149 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -18.081 -4.984 0.729 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -16.982 -3.589 0.847 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -18.723 -3.330 0.589 1.00 0.00 H new ATOM 1093 N GLU A 73 -19.683 -1.995 -2.206 1.00 0.00 N ATOM 1094 CA GLU A 73 -20.923 -1.192 -2.172 1.00 0.00 C ATOM 1095 C GLU A 73 -21.666 -1.256 -0.811 1.00 0.00 C ATOM 1096 O GLU A 73 -22.176 -0.227 -0.358 1.00 0.00 O ATOM 1097 CB GLU A 73 -21.857 -1.611 -3.341 1.00 0.00 C ATOM 1098 CG GLU A 73 -22.260 -3.091 -3.325 1.00 0.00 C ATOM 1099 CD GLU A 73 -23.157 -3.500 -4.502 1.00 0.00 C ATOM 1100 OE1 GLU A 73 -24.392 -3.370 -4.395 1.00 0.00 O ATOM 1101 OE2 GLU A 73 -22.629 -3.945 -5.546 1.00 0.00 O ATOM 0 H GLU A 73 -19.733 -2.792 -2.840 1.00 0.00 H new ATOM 0 HA GLU A 73 -20.629 -0.150 -2.296 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -22.759 -1.000 -3.307 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -21.359 -1.392 -4.285 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -21.359 -3.704 -3.337 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -22.780 -3.307 -2.392 1.00 0.00 H new ATOM 1108 N ASN A 74 -21.728 -2.446 -0.155 1.00 0.00 N ATOM 1109 CA ASN A 74 -22.434 -2.592 1.148 1.00 0.00 C ATOM 1110 C ASN A 74 -22.017 -3.870 1.891 1.00 0.00 C ATOM 1111 O ASN A 74 -21.187 -4.651 1.406 1.00 0.00 O ATOM 1112 CB ASN A 74 -23.982 -2.567 0.962 1.00 0.00 C ATOM 1113 CG ASN A 74 -24.525 -3.795 0.226 1.00 0.00 C ATOM 1114 OD1 ASN A 74 -24.831 -4.818 0.840 1.00 0.00 O ATOM 1115 ND2 ASN A 74 -24.642 -3.706 -1.086 1.00 0.00 N ATOM 0 H ASN A 74 -21.304 -3.307 -0.501 1.00 0.00 H new ATOM 0 HA ASN A 74 -22.140 -1.737 1.756 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -24.457 -2.499 1.941 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -24.260 -1.669 0.410 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -24.995 -4.499 -1.622 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -24.380 -2.844 -1.564 1.00 0.00 H new ATOM 1122 N ASP A 75 -22.630 -4.054 3.082 1.00 0.00 N ATOM 1123 CA ASP A 75 -22.197 -5.020 4.119 1.00 0.00 C ATOM 1124 C ASP A 75 -22.203 -6.471 3.623 1.00 0.00 C ATOM 1125 O ASP A 75 -21.420 -7.308 4.094 1.00 0.00 O ATOM 1126 CB ASP A 75 -23.081 -4.869 5.384 1.00 0.00 C ATOM 1127 CG ASP A 75 -24.575 -5.090 5.099 1.00 0.00 C ATOM 1128 OD1 ASP A 75 -25.243 -4.139 4.630 1.00 0.00 O ATOM 1129 OD2 ASP A 75 -25.090 -6.208 5.325 1.00 0.00 O ATOM 0 H ASP A 75 -23.457 -3.524 3.356 1.00 0.00 H new ATOM 0 HA ASP A 75 -21.162 -4.785 4.367 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -22.751 -5.582 6.139 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -22.940 -3.873 5.803 1.00 0.00 H new ATOM 1134 N ALA A 76 -23.116 -6.754 2.676 1.00 0.00 N ATOM 1135 CA ALA A 76 -23.280 -8.093 2.098 1.00 0.00 C ATOM 1136 C ALA A 76 -22.021 -8.487 1.321 1.00 0.00 C ATOM 1137 O ALA A 76 -21.457 -9.556 1.535 1.00 0.00 O ATOM 1138 CB ALA A 76 -24.527 -8.149 1.199 1.00 0.00 C ATOM 0 H ALA A 76 -23.758 -6.060 2.293 1.00 0.00 H new ATOM 0 HA ALA A 76 -23.423 -8.810 2.907 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -24.629 -9.150 0.781 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -25.412 -7.910 1.789 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -24.425 -7.427 0.389 1.00 0.00 H new ATOM 1144 N GLN A 77 -21.558 -7.547 0.474 1.00 0.00 N ATOM 1145 CA GLN A 77 -20.385 -7.728 -0.401 1.00 0.00 C ATOM 1146 C GLN A 77 -19.072 -7.904 0.398 1.00 0.00 C ATOM 1147 O GLN A 77 -18.120 -8.490 -0.107 1.00 0.00 O ATOM 1148 CB GLN A 77 -20.251 -6.508 -1.351 1.00 0.00 C ATOM 1149 CG GLN A 77 -21.361 -6.358 -2.405 1.00 0.00 C ATOM 1150 CD GLN A 77 -21.229 -7.312 -3.597 1.00 0.00 C ATOM 1151 OE1 GLN A 77 -20.127 -7.716 -3.977 1.00 0.00 O ATOM 1152 NE2 GLN A 77 -22.343 -7.641 -4.231 1.00 0.00 N ATOM 0 H GLN A 77 -21.994 -6.630 0.378 1.00 0.00 H new ATOM 0 HA GLN A 77 -20.545 -8.642 -0.973 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -20.225 -5.601 -0.746 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -19.293 -6.576 -1.866 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -22.326 -6.524 -1.926 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -21.360 -5.332 -2.773 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -23.242 -7.294 -3.896 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -22.303 -8.242 -5.054 1.00 0.00 H new ATOM 1161 N VAL A 78 -19.057 -7.410 1.654 1.00 0.00 N ATOM 1162 CA VAL A 78 -17.928 -7.601 2.596 1.00 0.00 C ATOM 1163 C VAL A 78 -17.810 -9.093 2.972 1.00 0.00 C ATOM 1164 O VAL A 78 -16.721 -9.685 2.950 1.00 0.00 O ATOM 1165 CB VAL A 78 -18.131 -6.757 3.917 1.00 0.00 C ATOM 1166 CG1 VAL A 78 -16.964 -6.939 4.926 1.00 0.00 C ATOM 1167 CG2 VAL A 78 -18.352 -5.269 3.593 1.00 0.00 C ATOM 0 H VAL A 78 -19.826 -6.867 2.046 1.00 0.00 H new ATOM 0 HA VAL A 78 -17.019 -7.261 2.100 1.00 0.00 H new ATOM 0 HB VAL A 78 -19.029 -7.142 4.401 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -17.154 -6.337 5.815 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -16.887 -7.989 5.208 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -16.030 -6.618 4.464 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -18.489 -4.711 4.519 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -17.484 -4.880 3.060 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -19.239 -5.160 2.970 1.00 0.00 H new ATOM 1177 N ASP A 79 -18.982 -9.674 3.287 1.00 0.00 N ATOM 1178 CA ASP A 79 -19.137 -11.065 3.741 1.00 0.00 C ATOM 1179 C ASP A 79 -18.919 -12.061 2.579 1.00 0.00 C ATOM 1180 O ASP A 79 -18.480 -13.201 2.795 1.00 0.00 O ATOM 1181 CB ASP A 79 -20.552 -11.222 4.364 1.00 0.00 C ATOM 1182 CG ASP A 79 -20.795 -12.599 4.994 1.00 0.00 C ATOM 1183 OD1 ASP A 79 -20.307 -12.835 6.122 1.00 0.00 O ATOM 1184 OD2 ASP A 79 -21.465 -13.454 4.375 1.00 0.00 O ATOM 0 H ASP A 79 -19.870 -9.175 3.231 1.00 0.00 H new ATOM 0 HA ASP A 79 -18.381 -11.293 4.492 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -20.693 -10.454 5.124 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -21.301 -11.047 3.592 1.00 0.00 H new ATOM 1189 N GLU A 80 -19.225 -11.614 1.348 1.00 0.00 N ATOM 1190 CA GLU A 80 -18.990 -12.407 0.127 1.00 0.00 C ATOM 1191 C GLU A 80 -17.481 -12.527 -0.140 1.00 0.00 C ATOM 1192 O GLU A 80 -16.972 -13.598 -0.491 1.00 0.00 O ATOM 1193 CB GLU A 80 -19.735 -11.779 -1.082 1.00 0.00 C ATOM 1194 CG GLU A 80 -21.243 -11.569 -0.836 1.00 0.00 C ATOM 1195 CD GLU A 80 -22.067 -11.410 -2.118 1.00 0.00 C ATOM 1196 OE1 GLU A 80 -21.928 -10.383 -2.806 1.00 0.00 O ATOM 1197 OE2 GLU A 80 -22.875 -12.310 -2.433 1.00 0.00 O ATOM 0 H GLU A 80 -19.640 -10.699 1.171 1.00 0.00 H new ATOM 0 HA GLU A 80 -19.388 -13.411 0.272 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -19.277 -10.819 -1.322 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -19.603 -12.421 -1.953 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -21.630 -12.417 -0.270 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -21.380 -10.683 -0.216 1.00 0.00 H new ATOM 1204 N THR A 81 -16.781 -11.396 0.070 1.00 0.00 N ATOM 1205 CA THR A 81 -15.321 -11.295 -0.076 1.00 0.00 C ATOM 1206 C THR A 81 -14.602 -12.132 1.002 1.00 0.00 C ATOM 1207 O THR A 81 -13.533 -12.697 0.749 1.00 0.00 O ATOM 1208 CB THR A 81 -14.881 -9.803 0.001 1.00 0.00 C ATOM 1209 OG1 THR A 81 -15.618 -9.045 -0.962 1.00 0.00 O ATOM 1210 CG2 THR A 81 -13.387 -9.599 -0.257 1.00 0.00 C ATOM 0 H THR A 81 -17.220 -10.519 0.349 1.00 0.00 H new ATOM 0 HA THR A 81 -15.040 -11.694 -1.051 1.00 0.00 H new ATOM 0 HB THR A 81 -15.085 -9.467 1.018 1.00 0.00 H new ATOM 0 HG1 THR A 81 -16.488 -8.797 -0.586 1.00 0.00 H new ATOM 0 HG21 THR A 81 -13.148 -8.538 -0.189 1.00 0.00 H new ATOM 0 HG22 THR A 81 -12.811 -10.150 0.487 1.00 0.00 H new ATOM 0 HG23 THR A 81 -13.137 -9.964 -1.253 1.00 0.00 H new ATOM 1218 N PHE A 82 -15.230 -12.214 2.198 1.00 0.00 N ATOM 1219 CA PHE A 82 -14.787 -13.087 3.306 1.00 0.00 C ATOM 1220 C PHE A 82 -14.661 -14.534 2.801 1.00 0.00 C ATOM 1221 O PHE A 82 -13.579 -15.114 2.786 1.00 0.00 O ATOM 1222 CB PHE A 82 -15.801 -12.977 4.491 1.00 0.00 C ATOM 1223 CG PHE A 82 -15.513 -13.830 5.742 1.00 0.00 C ATOM 1224 CD1 PHE A 82 -15.877 -15.181 5.805 1.00 0.00 C ATOM 1225 CD2 PHE A 82 -14.908 -13.273 6.870 1.00 0.00 C ATOM 1226 CE1 PHE A 82 -15.639 -15.931 6.941 1.00 0.00 C ATOM 1227 CE2 PHE A 82 -14.670 -14.028 8.005 1.00 0.00 C ATOM 1228 CZ PHE A 82 -15.037 -15.353 8.042 1.00 0.00 C ATOM 0 H PHE A 82 -16.064 -11.671 2.421 1.00 0.00 H new ATOM 0 HA PHE A 82 -13.809 -12.771 3.667 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -15.851 -11.932 4.798 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -16.789 -13.247 4.117 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -16.351 -15.644 4.952 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -14.620 -12.232 6.857 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -15.924 -16.972 6.968 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -14.195 -13.576 8.863 1.00 0.00 H new ATOM 0 HZ PHE A 82 -14.855 -15.940 8.930 1.00 0.00 H new ATOM 1238 N ALA A 83 -15.798 -15.058 2.324 1.00 0.00 N ATOM 1239 CA ALA A 83 -15.933 -16.450 1.873 1.00 0.00 C ATOM 1240 C ALA A 83 -15.002 -16.785 0.693 1.00 0.00 C ATOM 1241 O ALA A 83 -14.439 -17.880 0.636 1.00 0.00 O ATOM 1242 CB ALA A 83 -17.390 -16.717 1.494 1.00 0.00 C ATOM 0 H ALA A 83 -16.661 -14.521 2.239 1.00 0.00 H new ATOM 0 HA ALA A 83 -15.634 -17.097 2.698 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -17.496 -17.749 1.159 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -18.028 -16.551 2.362 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -17.687 -16.042 0.691 1.00 0.00 H new ATOM 1248 N GLY A 84 -14.854 -15.823 -0.234 1.00 0.00 N ATOM 1249 CA GLY A 84 -14.002 -15.987 -1.413 1.00 0.00 C ATOM 1250 C GLY A 84 -12.508 -16.095 -1.099 1.00 0.00 C ATOM 1251 O GLY A 84 -11.823 -16.965 -1.646 1.00 0.00 O ATOM 0 H GLY A 84 -15.320 -14.917 -0.183 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -14.314 -16.882 -1.951 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -14.161 -15.141 -2.082 1.00 0.00 H new ATOM 1255 N TRP A 85 -12.015 -15.235 -0.185 1.00 0.00 N ATOM 1256 CA TRP A 85 -10.612 -15.292 0.300 1.00 0.00 C ATOM 1257 C TRP A 85 -10.375 -16.620 1.039 1.00 0.00 C ATOM 1258 O TRP A 85 -9.344 -17.274 0.839 1.00 0.00 O ATOM 1259 CB TRP A 85 -10.319 -14.097 1.234 1.00 0.00 C ATOM 1260 CG TRP A 85 -10.296 -12.734 0.579 1.00 0.00 C ATOM 1261 CD1 TRP A 85 -10.425 -12.430 -0.751 1.00 0.00 C ATOM 1262 CD2 TRP A 85 -10.118 -11.483 1.256 1.00 0.00 C ATOM 1263 NE1 TRP A 85 -10.320 -11.077 -0.933 1.00 0.00 N ATOM 1264 CE2 TRP A 85 -10.137 -10.475 0.286 1.00 0.00 C ATOM 1265 CE3 TRP A 85 -9.943 -11.125 2.590 1.00 0.00 C ATOM 1266 CZ2 TRP A 85 -9.989 -9.133 0.608 1.00 0.00 C ATOM 1267 CZ3 TRP A 85 -9.795 -9.791 2.910 1.00 0.00 C ATOM 1268 CH2 TRP A 85 -9.819 -8.806 1.922 1.00 0.00 C ATOM 0 H TRP A 85 -12.567 -14.488 0.237 1.00 0.00 H new ATOM 0 HA TRP A 85 -9.936 -15.234 -0.553 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -11.070 -14.086 2.024 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -9.355 -14.264 1.714 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -10.586 -13.151 -1.539 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -10.370 -10.594 -1.830 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -9.923 -11.880 3.362 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -10.008 -8.371 -0.157 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -9.658 -9.505 3.942 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -9.701 -7.769 2.201 1.00 0.00 H new ATOM 1279 N LYS A 86 -11.336 -16.978 1.914 1.00 0.00 N ATOM 1280 CA LYS A 86 -11.303 -18.220 2.714 1.00 0.00 C ATOM 1281 C LYS A 86 -11.167 -19.440 1.795 1.00 0.00 C ATOM 1282 O LYS A 86 -10.334 -20.318 2.030 1.00 0.00 O ATOM 1283 CB LYS A 86 -12.593 -18.315 3.574 1.00 0.00 C ATOM 1284 CG LYS A 86 -12.771 -19.627 4.362 1.00 0.00 C ATOM 1285 CD LYS A 86 -14.063 -19.644 5.221 1.00 0.00 C ATOM 1286 CE LYS A 86 -15.333 -19.252 4.426 1.00 0.00 C ATOM 1287 NZ LYS A 86 -16.583 -19.517 5.183 1.00 0.00 N ATOM 0 H LYS A 86 -12.164 -16.409 2.087 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.439 -18.202 3.378 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -12.600 -17.484 4.280 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -13.455 -18.185 2.920 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -12.794 -20.464 3.664 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -11.908 -19.776 5.010 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -14.199 -20.641 5.641 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -13.942 -18.959 6.060 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -15.285 -18.194 4.170 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -15.356 -19.806 3.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -17.403 -19.238 4.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -16.646 -20.531 5.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -16.577 -18.968 6.066 1.00 0.00 H new ATOM 1301 N ALA A 87 -11.969 -19.436 0.722 1.00 0.00 N ATOM 1302 CA ALA A 87 -12.006 -20.519 -0.271 1.00 0.00 C ATOM 1303 C ALA A 87 -10.704 -20.596 -1.088 1.00 0.00 C ATOM 1304 O ALA A 87 -10.294 -21.671 -1.530 1.00 0.00 O ATOM 1305 CB ALA A 87 -13.214 -20.329 -1.198 1.00 0.00 C ATOM 0 H ALA A 87 -12.616 -18.675 0.517 1.00 0.00 H new ATOM 0 HA ALA A 87 -12.104 -21.463 0.264 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -13.239 -21.133 -1.933 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -14.131 -20.347 -0.609 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -13.132 -19.371 -1.711 1.00 0.00 H new ATOM 1311 N SER A 88 -10.058 -19.429 -1.253 1.00 0.00 N ATOM 1312 CA SER A 88 -8.826 -19.268 -2.057 1.00 0.00 C ATOM 1313 C SER A 88 -7.545 -19.259 -1.188 1.00 0.00 C ATOM 1314 O SER A 88 -6.459 -18.899 -1.656 1.00 0.00 O ATOM 1315 CB SER A 88 -8.928 -17.949 -2.860 1.00 0.00 C ATOM 1316 OG SER A 88 -10.050 -17.970 -3.732 1.00 0.00 O ATOM 0 H SER A 88 -10.377 -18.558 -0.828 1.00 0.00 H new ATOM 0 HA SER A 88 -8.745 -20.124 -2.726 1.00 0.00 H new ATOM 0 HB2 SER A 88 -9.012 -17.107 -2.173 1.00 0.00 H new ATOM 0 HB3 SER A 88 -8.016 -17.799 -3.438 1.00 0.00 H new ATOM 0 HG SER A 88 -10.844 -17.657 -3.251 1.00 0.00 H new ATOM 1322 N GLY A 89 -7.708 -19.678 0.084 1.00 0.00 N ATOM 1323 CA GLY A 89 -6.587 -20.046 0.954 1.00 0.00 C ATOM 1324 C GLY A 89 -5.943 -18.874 1.689 1.00 0.00 C ATOM 1325 O GLY A 89 -4.723 -18.667 1.590 1.00 0.00 O ATOM 0 H GLY A 89 -8.621 -19.768 0.530 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.937 -20.771 1.689 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -5.826 -20.544 0.353 1.00 0.00 H new ATOM 1329 N VAL A 90 -6.754 -18.103 2.428 1.00 0.00 N ATOM 1330 CA VAL A 90 -6.249 -17.068 3.357 1.00 0.00 C ATOM 1331 C VAL A 90 -6.343 -17.609 4.805 1.00 0.00 C ATOM 1332 O VAL A 90 -7.187 -18.472 5.079 1.00 0.00 O ATOM 1333 CB VAL A 90 -7.052 -15.714 3.188 1.00 0.00 C ATOM 1334 CG1 VAL A 90 -8.425 -15.738 3.902 1.00 0.00 C ATOM 1335 CG2 VAL A 90 -6.212 -14.496 3.629 1.00 0.00 C ATOM 0 H VAL A 90 -7.771 -18.174 2.403 1.00 0.00 H new ATOM 0 HA VAL A 90 -5.207 -16.846 3.127 1.00 0.00 H new ATOM 0 HB VAL A 90 -7.257 -15.612 2.122 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -8.930 -14.784 3.752 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -9.036 -16.541 3.489 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -8.277 -15.906 4.969 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -6.796 -13.585 3.499 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -5.937 -14.604 4.678 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -5.309 -14.438 3.022 1.00 0.00 H new ATOM 1345 N ALA A 91 -5.476 -17.127 5.721 1.00 0.00 N ATOM 1346 CA ALA A 91 -5.477 -17.579 7.134 1.00 0.00 C ATOM 1347 C ALA A 91 -6.746 -17.098 7.866 1.00 0.00 C ATOM 1348 O ALA A 91 -7.395 -17.893 8.554 1.00 0.00 O ATOM 1349 CB ALA A 91 -4.213 -17.106 7.863 1.00 0.00 C ATOM 0 H ALA A 91 -4.766 -16.426 5.510 1.00 0.00 H new ATOM 0 HA ALA A 91 -5.479 -18.669 7.137 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -4.239 -17.451 8.897 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -3.332 -17.514 7.366 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -4.168 -16.017 7.845 1.00 0.00 H new ATOM 1355 N MET A 92 -7.075 -15.790 7.712 1.00 0.00 N ATOM 1356 CA MET A 92 -8.364 -15.212 8.174 1.00 0.00 C ATOM 1357 C MET A 92 -8.519 -15.243 9.716 1.00 0.00 C ATOM 1358 O MET A 92 -9.069 -16.202 10.275 1.00 0.00 O ATOM 1359 CB MET A 92 -9.564 -15.906 7.462 1.00 0.00 C ATOM 1360 CG MET A 92 -10.956 -15.445 7.895 1.00 0.00 C ATOM 1361 SD MET A 92 -12.228 -16.169 6.855 1.00 0.00 S ATOM 1362 CE MET A 92 -11.905 -15.319 5.319 1.00 0.00 C ATOM 0 H MET A 92 -6.459 -15.110 7.267 1.00 0.00 H new ATOM 0 HA MET A 92 -8.361 -14.159 7.894 1.00 0.00 H new ATOM 0 HB2 MET A 92 -9.467 -15.745 6.388 1.00 0.00 H new ATOM 0 HB3 MET A 92 -9.490 -16.980 7.631 1.00 0.00 H new ATOM 0 HG2 MET A 92 -11.128 -15.725 8.934 1.00 0.00 H new ATOM 0 HG3 MET A 92 -11.015 -14.358 7.844 1.00 0.00 H new ATOM 0 HE1 MET A 92 -12.806 -14.798 4.995 1.00 0.00 H new ATOM 0 HE2 MET A 92 -11.101 -14.598 5.464 1.00 0.00 H new ATOM 0 HE3 MET A 92 -11.611 -16.042 4.558 1.00 0.00 H new ATOM 1372 N LEU A 93 -7.959 -14.232 10.412 1.00 0.00 N ATOM 1373 CA LEU A 93 -8.150 -14.075 11.870 1.00 0.00 C ATOM 1374 C LEU A 93 -8.662 -12.651 12.214 1.00 0.00 C ATOM 1375 O LEU A 93 -7.889 -11.779 12.615 1.00 0.00 O ATOM 1376 CB LEU A 93 -6.852 -14.477 12.697 1.00 0.00 C ATOM 1377 CG LEU A 93 -5.413 -14.233 12.087 1.00 0.00 C ATOM 1378 CD1 LEU A 93 -5.081 -15.219 10.954 1.00 0.00 C ATOM 1379 CD2 LEU A 93 -5.195 -12.777 11.637 1.00 0.00 C ATOM 0 H LEU A 93 -7.372 -13.513 9.989 1.00 0.00 H new ATOM 0 HA LEU A 93 -8.924 -14.778 12.177 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -6.895 -13.943 13.646 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.930 -15.540 12.925 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.714 -14.424 12.901 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.083 -15.009 10.570 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.115 -16.239 11.337 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -5.810 -15.109 10.151 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.191 -12.669 11.227 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -5.928 -12.519 10.873 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.311 -12.111 12.492 1.00 0.00 H new ATOM 1391 N GLN A 94 -9.998 -12.465 12.095 1.00 0.00 N ATOM 1392 CA GLN A 94 -10.720 -11.216 12.460 1.00 0.00 C ATOM 1393 C GLN A 94 -12.214 -11.431 12.126 1.00 0.00 C ATOM 1394 O GLN A 94 -12.543 -12.045 11.098 1.00 0.00 O ATOM 1395 CB GLN A 94 -10.133 -9.955 11.722 1.00 0.00 C ATOM 1396 CG GLN A 94 -10.357 -8.565 12.378 1.00 0.00 C ATOM 1397 CD GLN A 94 -11.769 -8.007 12.234 1.00 0.00 C ATOM 1398 OE1 GLN A 94 -12.463 -8.309 11.274 1.00 0.00 O ATOM 1399 NE2 GLN A 94 -12.179 -7.146 13.153 1.00 0.00 N ATOM 0 H GLN A 94 -10.619 -13.191 11.736 1.00 0.00 H new ATOM 0 HA GLN A 94 -10.596 -11.013 13.524 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -9.059 -10.103 11.608 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -10.559 -9.925 10.719 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -10.117 -8.637 13.439 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -9.655 -7.855 11.940 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -11.575 -6.916 13.942 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -13.099 -6.713 13.072 1.00 0.00 H new ATOM 1408 N GLN A 95 -13.102 -10.943 13.002 1.00 0.00 N ATOM 1409 CA GLN A 95 -14.557 -11.139 12.885 1.00 0.00 C ATOM 1410 C GLN A 95 -15.194 -10.031 12.016 1.00 0.00 C ATOM 1411 O GLN A 95 -15.041 -8.845 12.340 1.00 0.00 O ATOM 1412 CB GLN A 95 -15.212 -11.150 14.294 1.00 0.00 C ATOM 1413 CG GLN A 95 -14.814 -12.347 15.180 1.00 0.00 C ATOM 1414 CD GLN A 95 -15.470 -12.324 16.564 1.00 0.00 C ATOM 1415 OE1 GLN A 95 -15.692 -11.266 17.150 1.00 0.00 O ATOM 1416 NE2 GLN A 95 -15.822 -13.492 17.078 1.00 0.00 N ATOM 0 H GLN A 95 -12.831 -10.396 13.819 1.00 0.00 H new ATOM 0 HA GLN A 95 -14.733 -12.100 12.402 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -14.945 -10.228 14.811 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -16.296 -11.147 14.176 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -15.087 -13.272 14.672 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -13.731 -12.357 15.300 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -15.625 -14.354 16.569 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -16.290 -13.530 17.983 1.00 0.00 H new ATOM 1425 N PRO A 96 -15.924 -10.396 10.902 1.00 0.00 N ATOM 1426 CA PRO A 96 -16.663 -9.411 10.079 1.00 0.00 C ATOM 1427 C PRO A 96 -17.794 -8.768 10.899 1.00 0.00 C ATOM 1428 O PRO A 96 -18.864 -9.361 11.092 1.00 0.00 O ATOM 1429 CB PRO A 96 -17.181 -10.235 8.865 1.00 0.00 C ATOM 1430 CG PRO A 96 -17.211 -11.653 9.357 1.00 0.00 C ATOM 1431 CD PRO A 96 -16.079 -11.775 10.368 1.00 0.00 C ATOM 0 HA PRO A 96 -16.049 -8.574 9.746 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -18.171 -9.902 8.553 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -16.523 -10.128 8.003 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -18.171 -11.885 9.818 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -17.075 -12.354 8.533 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -16.325 -12.484 11.159 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -15.160 -12.127 9.898 1.00 0.00 H new ATOM 1439 N ALA A 97 -17.508 -7.573 11.425 1.00 0.00 N ATOM 1440 CA ALA A 97 -18.372 -6.884 12.389 1.00 0.00 C ATOM 1441 C ALA A 97 -18.585 -5.422 11.981 1.00 0.00 C ATOM 1442 O ALA A 97 -17.794 -4.849 11.224 1.00 0.00 O ATOM 1443 CB ALA A 97 -17.754 -6.980 13.793 1.00 0.00 C ATOM 0 H ALA A 97 -16.663 -7.052 11.192 1.00 0.00 H new ATOM 0 HA ALA A 97 -19.349 -7.367 12.401 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -18.397 -6.468 14.509 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -17.657 -8.028 14.077 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -16.769 -6.513 13.790 1.00 0.00 H new ATOM 1449 N LYS A 98 -19.680 -4.844 12.481 1.00 0.00 N ATOM 1450 CA LYS A 98 -20.036 -3.443 12.263 1.00 0.00 C ATOM 1451 C LYS A 98 -19.095 -2.551 13.097 1.00 0.00 C ATOM 1452 O LYS A 98 -19.220 -2.488 14.325 1.00 0.00 O ATOM 1453 CB LYS A 98 -21.544 -3.206 12.631 1.00 0.00 C ATOM 1454 CG LYS A 98 -22.398 -2.531 11.534 1.00 0.00 C ATOM 1455 CD LYS A 98 -21.695 -1.321 10.883 1.00 0.00 C ATOM 1456 CE LYS A 98 -22.629 -0.498 9.991 1.00 0.00 C ATOM 1457 NZ LYS A 98 -23.251 -1.315 8.909 1.00 0.00 N ATOM 0 H LYS A 98 -20.354 -5.346 13.058 1.00 0.00 H new ATOM 0 HA LYS A 98 -19.915 -3.183 11.211 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -21.995 -4.167 12.878 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -21.588 -2.592 13.531 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -22.635 -3.264 10.763 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -23.344 -2.205 11.966 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -21.289 -0.679 11.665 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -20.851 -1.673 10.290 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -23.414 -0.054 10.604 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -22.069 0.324 9.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -23.083 -0.859 7.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -22.830 -2.266 8.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -24.275 -1.390 9.076 1.00 0.00 H new ATOM 1471 N MET A 99 -18.137 -1.912 12.418 1.00 0.00 N ATOM 1472 CA MET A 99 -17.101 -1.072 13.052 1.00 0.00 C ATOM 1473 C MET A 99 -17.475 0.423 12.914 1.00 0.00 C ATOM 1474 O MET A 99 -18.453 0.761 12.235 1.00 0.00 O ATOM 1475 CB MET A 99 -15.724 -1.392 12.397 1.00 0.00 C ATOM 1476 CG MET A 99 -14.491 -1.026 13.228 1.00 0.00 C ATOM 1477 SD MET A 99 -12.950 -1.537 12.438 1.00 0.00 S ATOM 1478 CE MET A 99 -11.776 -1.270 13.757 1.00 0.00 C ATOM 0 H MET A 99 -18.053 -1.960 11.403 1.00 0.00 H new ATOM 0 HA MET A 99 -17.033 -1.290 14.118 1.00 0.00 H new ATOM 0 HB2 MET A 99 -15.687 -2.459 12.176 1.00 0.00 H new ATOM 0 HB3 MET A 99 -15.665 -0.867 11.444 1.00 0.00 H new ATOM 0 HG2 MET A 99 -14.473 0.052 13.390 1.00 0.00 H new ATOM 0 HG3 MET A 99 -14.566 -1.495 14.209 1.00 0.00 H new ATOM 0 HE1 MET A 99 -10.836 -1.766 13.514 1.00 0.00 H new ATOM 0 HE2 MET A 99 -11.602 -0.201 13.878 1.00 0.00 H new ATOM 0 HE3 MET A 99 -12.173 -1.680 14.686 1.00 0.00 H new ATOM 1488 N GLU A 100 -16.679 1.302 13.563 1.00 0.00 N ATOM 1489 CA GLU A 100 -16.849 2.778 13.530 1.00 0.00 C ATOM 1490 C GLU A 100 -16.845 3.332 12.092 1.00 0.00 C ATOM 1491 O GLU A 100 -17.570 4.279 11.773 1.00 0.00 O ATOM 1492 CB GLU A 100 -15.708 3.452 14.344 1.00 0.00 C ATOM 1493 CG GLU A 100 -15.567 2.942 15.792 1.00 0.00 C ATOM 1494 CD GLU A 100 -16.794 3.228 16.679 1.00 0.00 C ATOM 1495 OE1 GLU A 100 -16.849 4.312 17.298 1.00 0.00 O ATOM 1496 OE2 GLU A 100 -17.703 2.371 16.759 1.00 0.00 O ATOM 0 H GLU A 100 -15.888 1.005 14.134 1.00 0.00 H new ATOM 0 HA GLU A 100 -17.819 3.006 13.972 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -14.764 3.292 13.823 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -15.882 4.528 14.367 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -15.389 1.867 15.772 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -14.689 3.402 16.245 1.00 0.00 H new ATOM 1503 N PHE A 101 -16.012 2.724 11.242 1.00 0.00 N ATOM 1504 CA PHE A 101 -15.824 3.142 9.836 1.00 0.00 C ATOM 1505 C PHE A 101 -16.814 2.408 8.908 1.00 0.00 C ATOM 1506 O PHE A 101 -16.930 2.735 7.725 1.00 0.00 O ATOM 1507 CB PHE A 101 -14.352 2.869 9.426 1.00 0.00 C ATOM 1508 CG PHE A 101 -13.359 3.402 10.464 1.00 0.00 C ATOM 1509 CD1 PHE A 101 -13.150 4.773 10.608 1.00 0.00 C ATOM 1510 CD2 PHE A 101 -12.684 2.538 11.334 1.00 0.00 C ATOM 1511 CE1 PHE A 101 -12.296 5.260 11.575 1.00 0.00 C ATOM 1512 CE2 PHE A 101 -11.836 3.031 12.304 1.00 0.00 C ATOM 1513 CZ PHE A 101 -11.639 4.390 12.422 1.00 0.00 C ATOM 0 H PHE A 101 -15.441 1.921 11.506 1.00 0.00 H new ATOM 0 HA PHE A 101 -16.029 4.208 9.739 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -14.204 1.797 9.300 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -14.152 3.334 8.461 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -13.663 5.462 9.954 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -12.829 1.471 11.245 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -12.141 6.325 11.670 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -11.326 2.352 12.971 1.00 0.00 H new ATOM 0 HZ PHE A 101 -10.970 4.775 13.178 1.00 0.00 H new ATOM 1523 N GLY A 102 -17.524 1.423 9.481 1.00 0.00 N ATOM 1524 CA GLY A 102 -18.513 0.619 8.768 1.00 0.00 C ATOM 1525 C GLY A 102 -18.249 -0.871 8.914 1.00 0.00 C ATOM 1526 O GLY A 102 -17.345 -1.272 9.648 1.00 0.00 O ATOM 0 H GLY A 102 -17.422 1.165 10.462 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -19.509 0.849 9.147 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -18.504 0.887 7.711 1.00 0.00 H new ATOM 1530 N TYR A 103 -19.018 -1.696 8.182 1.00 0.00 N ATOM 1531 CA TYR A 103 -18.995 -3.156 8.340 1.00 0.00 C ATOM 1532 C TYR A 103 -17.729 -3.720 7.671 1.00 0.00 C ATOM 1533 O TYR A 103 -17.661 -3.763 6.450 1.00 0.00 O ATOM 1534 CB TYR A 103 -20.274 -3.778 7.720 1.00 0.00 C ATOM 1535 CG TYR A 103 -20.514 -5.225 8.158 1.00 0.00 C ATOM 1536 CD1 TYR A 103 -21.124 -5.484 9.375 1.00 0.00 C ATOM 1537 CD2 TYR A 103 -20.119 -6.314 7.375 1.00 0.00 C ATOM 1538 CE1 TYR A 103 -21.340 -6.764 9.808 1.00 0.00 C ATOM 1539 CE2 TYR A 103 -20.332 -7.606 7.800 1.00 0.00 C ATOM 1540 CZ TYR A 103 -20.942 -7.830 9.019 1.00 0.00 C ATOM 1541 OH TYR A 103 -21.150 -9.120 9.452 1.00 0.00 O ATOM 0 H TYR A 103 -19.669 -1.369 7.468 1.00 0.00 H new ATOM 0 HA TYR A 103 -18.975 -3.411 9.400 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -21.137 -3.173 7.999 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -20.198 -3.742 6.633 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -21.436 -4.657 9.996 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -19.640 -6.139 6.423 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -21.818 -6.942 10.760 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -20.024 -8.439 7.185 1.00 0.00 H new ATOM 0 HH TYR A 103 -20.424 -9.384 10.055 1.00 0.00 H new ATOM 1551 N THR A 104 -16.733 -4.136 8.470 1.00 0.00 N ATOM 1552 CA THR A 104 -15.394 -4.490 7.958 1.00 0.00 C ATOM 1553 C THR A 104 -14.909 -5.838 8.506 1.00 0.00 C ATOM 1554 O THR A 104 -15.481 -6.379 9.465 1.00 0.00 O ATOM 1555 CB THR A 104 -14.353 -3.370 8.321 1.00 0.00 C ATOM 1556 OG1 THR A 104 -13.090 -3.598 7.661 1.00 0.00 O ATOM 1557 CG2 THR A 104 -14.109 -3.266 9.832 1.00 0.00 C ATOM 0 H THR A 104 -16.829 -4.237 9.480 1.00 0.00 H new ATOM 0 HA THR A 104 -15.477 -4.575 6.875 1.00 0.00 H new ATOM 0 HB THR A 104 -14.787 -2.432 7.975 1.00 0.00 H new ATOM 0 HG1 THR A 104 -13.247 -4.017 6.789 1.00 0.00 H new ATOM 0 HG21 THR A 104 -13.382 -2.478 10.030 1.00 0.00 H new ATOM 0 HG22 THR A 104 -15.046 -3.030 10.337 1.00 0.00 H new ATOM 0 HG23 THR A 104 -13.725 -4.216 10.205 1.00 0.00 H new ATOM 1565 N PHE A 105 -13.840 -6.355 7.880 1.00 0.00 N ATOM 1566 CA PHE A 105 -13.082 -7.513 8.368 1.00 0.00 C ATOM 1567 C PHE A 105 -11.653 -7.469 7.811 1.00 0.00 C ATOM 1568 O PHE A 105 -11.399 -6.764 6.826 1.00 0.00 O ATOM 1569 CB PHE A 105 -13.829 -8.863 8.036 1.00 0.00 C ATOM 1570 CG PHE A 105 -13.071 -9.930 7.241 1.00 0.00 C ATOM 1571 CD1 PHE A 105 -12.278 -10.887 7.879 1.00 0.00 C ATOM 1572 CD2 PHE A 105 -13.155 -9.969 5.856 1.00 0.00 C ATOM 1573 CE1 PHE A 105 -11.598 -11.834 7.147 1.00 0.00 C ATOM 1574 CE2 PHE A 105 -12.473 -10.913 5.129 1.00 0.00 C ATOM 1575 CZ PHE A 105 -11.698 -11.841 5.771 1.00 0.00 C ATOM 0 H PHE A 105 -13.474 -5.973 7.008 1.00 0.00 H new ATOM 0 HA PHE A 105 -13.012 -7.468 9.455 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -14.144 -9.310 8.979 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -14.735 -8.615 7.483 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -12.198 -10.884 8.956 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -13.768 -9.244 5.341 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -10.987 -12.570 7.649 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -12.548 -10.923 4.052 1.00 0.00 H new ATOM 0 HZ PHE A 105 -11.162 -12.583 5.197 1.00 0.00 H new ATOM 1585 N THR A 106 -10.724 -8.188 8.452 1.00 0.00 N ATOM 1586 CA THR A 106 -9.316 -8.219 8.028 1.00 0.00 C ATOM 1587 C THR A 106 -8.800 -9.671 8.000 1.00 0.00 C ATOM 1588 O THR A 106 -8.927 -10.405 8.978 1.00 0.00 O ATOM 1589 CB THR A 106 -8.431 -7.358 8.983 1.00 0.00 C ATOM 1590 OG1 THR A 106 -9.120 -6.159 9.342 1.00 0.00 O ATOM 1591 CG2 THR A 106 -7.075 -6.987 8.350 1.00 0.00 C ATOM 0 H THR A 106 -10.923 -8.761 9.272 1.00 0.00 H new ATOM 0 HA THR A 106 -9.253 -7.799 7.024 1.00 0.00 H new ATOM 0 HB THR A 106 -8.236 -7.964 9.868 1.00 0.00 H new ATOM 0 HG1 THR A 106 -8.735 -5.795 10.166 1.00 0.00 H new ATOM 0 HG21 THR A 106 -6.497 -6.388 9.054 1.00 0.00 H new ATOM 0 HG22 THR A 106 -6.525 -7.897 8.110 1.00 0.00 H new ATOM 0 HG23 THR A 106 -7.244 -6.413 7.439 1.00 0.00 H new ATOM 1599 N ALA A 107 -8.226 -10.079 6.867 1.00 0.00 N ATOM 1600 CA ALA A 107 -7.631 -11.410 6.700 1.00 0.00 C ATOM 1601 C ALA A 107 -6.102 -11.314 6.673 1.00 0.00 C ATOM 1602 O ALA A 107 -5.554 -10.278 6.297 1.00 0.00 O ATOM 1603 CB ALA A 107 -8.158 -12.060 5.417 1.00 0.00 C ATOM 0 H ALA A 107 -8.159 -9.494 6.034 1.00 0.00 H new ATOM 0 HA ALA A 107 -7.915 -12.034 7.548 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -7.712 -13.048 5.300 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -9.242 -12.156 5.477 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -7.895 -11.439 4.560 1.00 0.00 H new ATOM 1609 N ALA A 108 -5.417 -12.385 7.083 1.00 0.00 N ATOM 1610 CA ALA A 108 -3.954 -12.491 6.962 1.00 0.00 C ATOM 1611 C ALA A 108 -3.624 -13.528 5.884 1.00 0.00 C ATOM 1612 O ALA A 108 -4.002 -14.685 6.016 1.00 0.00 O ATOM 1613 CB ALA A 108 -3.327 -12.869 8.311 1.00 0.00 C ATOM 0 H ALA A 108 -5.856 -13.202 7.507 1.00 0.00 H new ATOM 0 HA ALA A 108 -3.535 -11.528 6.671 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -2.245 -12.943 8.201 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -3.566 -12.104 9.050 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -3.724 -13.829 8.641 1.00 0.00 H new ATOM 1619 N ASP A 109 -2.979 -13.086 4.801 1.00 0.00 N ATOM 1620 CA ASP A 109 -2.489 -13.973 3.715 1.00 0.00 C ATOM 1621 C ASP A 109 -1.310 -14.864 4.213 1.00 0.00 C ATOM 1622 O ASP A 109 -0.844 -14.666 5.339 1.00 0.00 O ATOM 1623 CB ASP A 109 -2.071 -13.091 2.509 1.00 0.00 C ATOM 1624 CG ASP A 109 -1.084 -11.993 2.895 1.00 0.00 C ATOM 1625 OD1 ASP A 109 -1.540 -10.908 3.299 1.00 0.00 O ATOM 1626 OD2 ASP A 109 0.138 -12.220 2.830 1.00 0.00 O ATOM 0 H ASP A 109 -2.776 -12.099 4.642 1.00 0.00 H new ATOM 0 HA ASP A 109 -3.283 -14.651 3.403 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -1.624 -13.722 1.741 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -2.960 -12.637 2.071 1.00 0.00 H new ATOM 1631 N PRO A 110 -0.844 -15.897 3.415 1.00 0.00 N ATOM 1632 CA PRO A 110 0.351 -16.734 3.762 1.00 0.00 C ATOM 1633 C PRO A 110 1.588 -15.923 4.239 1.00 0.00 C ATOM 1634 O PRO A 110 2.283 -16.332 5.178 1.00 0.00 O ATOM 1635 CB PRO A 110 0.655 -17.473 2.433 1.00 0.00 C ATOM 1636 CG PRO A 110 -0.690 -17.640 1.790 1.00 0.00 C ATOM 1637 CD PRO A 110 -1.486 -16.398 2.154 1.00 0.00 C ATOM 0 HA PRO A 110 0.140 -17.388 4.608 1.00 0.00 H new ATOM 0 HB2 PRO A 110 1.330 -16.895 1.801 1.00 0.00 H new ATOM 0 HB3 PRO A 110 1.133 -18.436 2.613 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -0.596 -17.740 0.709 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -1.186 -18.541 2.151 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -1.441 -15.651 1.362 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -2.539 -16.633 2.311 1.00 0.00 H new ATOM 1645 N ASP A 111 1.835 -14.771 3.594 1.00 0.00 N ATOM 1646 CA ASP A 111 3.004 -13.899 3.886 1.00 0.00 C ATOM 1647 C ASP A 111 2.717 -12.959 5.072 1.00 0.00 C ATOM 1648 O ASP A 111 3.631 -12.318 5.592 1.00 0.00 O ATOM 1649 CB ASP A 111 3.400 -13.099 2.618 1.00 0.00 C ATOM 1650 CG ASP A 111 3.744 -14.014 1.431 1.00 0.00 C ATOM 1651 OD1 ASP A 111 2.824 -14.659 0.871 1.00 0.00 O ATOM 1652 OD2 ASP A 111 4.930 -14.126 1.069 1.00 0.00 O ATOM 0 H ASP A 111 1.234 -14.410 2.853 1.00 0.00 H new ATOM 0 HA ASP A 111 3.844 -14.532 4.172 1.00 0.00 H new ATOM 0 HB2 ASP A 111 2.580 -12.438 2.338 1.00 0.00 H new ATOM 0 HB3 ASP A 111 4.257 -12.465 2.845 1.00 0.00 H new ATOM 1657 N SER A 112 1.430 -12.894 5.469 1.00 0.00 N ATOM 1658 CA SER A 112 0.941 -12.226 6.686 1.00 0.00 C ATOM 1659 C SER A 112 0.984 -10.696 6.550 1.00 0.00 C ATOM 1660 O SER A 112 1.942 -10.035 6.969 1.00 0.00 O ATOM 1661 CB SER A 112 1.681 -12.716 7.957 1.00 0.00 C ATOM 1662 OG SER A 112 1.620 -14.131 8.078 1.00 0.00 O ATOM 0 H SER A 112 0.678 -13.322 4.929 1.00 0.00 H new ATOM 0 HA SER A 112 -0.105 -12.508 6.805 1.00 0.00 H new ATOM 0 HB2 SER A 112 2.723 -12.397 7.920 1.00 0.00 H new ATOM 0 HB3 SER A 112 1.238 -12.254 8.839 1.00 0.00 H new ATOM 0 HG SER A 112 2.096 -14.411 8.887 1.00 0.00 H new ATOM 1668 N HIS A 113 -0.040 -10.151 5.881 1.00 0.00 N ATOM 1669 CA HIS A 113 -0.321 -8.702 5.843 1.00 0.00 C ATOM 1670 C HIS A 113 -1.720 -8.477 6.427 1.00 0.00 C ATOM 1671 O HIS A 113 -2.396 -9.433 6.840 1.00 0.00 O ATOM 1672 CB HIS A 113 -0.262 -8.122 4.394 1.00 0.00 C ATOM 1673 CG HIS A 113 0.885 -8.611 3.564 1.00 0.00 C ATOM 1674 ND1 HIS A 113 0.708 -9.307 2.399 1.00 0.00 N ATOM 1675 CD2 HIS A 113 2.218 -8.545 3.750 1.00 0.00 C ATOM 1676 CE1 HIS A 113 1.869 -9.653 1.907 1.00 0.00 C ATOM 1677 NE2 HIS A 113 2.807 -9.209 2.707 1.00 0.00 N ATOM 0 H HIS A 113 -0.706 -10.706 5.344 1.00 0.00 H new ATOM 0 HA HIS A 113 0.443 -8.185 6.424 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -1.192 -8.368 3.882 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -0.209 -7.035 4.455 1.00 0.00 H new ATOM 0 HD2 HIS A 113 2.727 -8.059 4.569 1.00 0.00 H new ATOM 0 HE1 HIS A 113 2.028 -10.210 0.996 1.00 0.00 H new ATOM 0 HE2 HIS A 113 3.810 -9.337 2.575 1.00 0.00 H new ATOM 1686 N ARG A 114 -2.154 -7.222 6.466 1.00 0.00 N ATOM 1687 CA ARG A 114 -3.509 -6.865 6.885 1.00 0.00 C ATOM 1688 C ARG A 114 -4.346 -6.533 5.648 1.00 0.00 C ATOM 1689 O ARG A 114 -4.222 -5.459 5.082 1.00 0.00 O ATOM 1690 CB ARG A 114 -3.446 -5.691 7.897 1.00 0.00 C ATOM 1691 CG ARG A 114 -2.769 -6.072 9.235 1.00 0.00 C ATOM 1692 CD ARG A 114 -3.498 -7.242 9.929 1.00 0.00 C ATOM 1693 NE ARG A 114 -2.689 -7.907 10.963 1.00 0.00 N ATOM 1694 CZ ARG A 114 -2.101 -9.111 10.822 1.00 0.00 C ATOM 1695 NH1 ARG A 114 -2.098 -9.746 9.652 1.00 0.00 N ATOM 1696 NH2 ARG A 114 -1.503 -9.667 11.851 1.00 0.00 N ATOM 0 H ARG A 114 -1.577 -6.421 6.208 1.00 0.00 H new ATOM 0 HA ARG A 114 -3.990 -7.701 7.392 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -2.902 -4.861 7.446 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -4.458 -5.338 8.097 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -1.730 -6.347 9.052 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -2.758 -5.206 9.897 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -4.417 -6.870 10.382 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -3.788 -7.976 9.177 1.00 0.00 H new ATOM 0 HE ARG A 114 -2.564 -7.421 11.851 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -2.547 -9.322 8.840 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -1.647 -10.657 9.567 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -1.485 -9.187 12.751 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -1.056 -10.578 11.750 1.00 0.00 H new ATOM 1710 N LEU A 115 -5.148 -7.507 5.195 1.00 0.00 N ATOM 1711 CA LEU A 115 -6.032 -7.352 4.029 1.00 0.00 C ATOM 1712 C LEU A 115 -7.442 -7.001 4.527 1.00 0.00 C ATOM 1713 O LEU A 115 -8.164 -7.867 5.005 1.00 0.00 O ATOM 1714 CB LEU A 115 -6.066 -8.674 3.204 1.00 0.00 C ATOM 1715 CG LEU A 115 -4.689 -9.246 2.748 1.00 0.00 C ATOM 1716 CD1 LEU A 115 -4.854 -10.641 2.112 1.00 0.00 C ATOM 1717 CD2 LEU A 115 -3.950 -8.272 1.797 1.00 0.00 C ATOM 0 H LEU A 115 -5.203 -8.429 5.628 1.00 0.00 H new ATOM 0 HA LEU A 115 -5.660 -6.556 3.384 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -6.571 -9.435 3.799 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -6.676 -8.507 2.317 1.00 0.00 H new ATOM 0 HG LEU A 115 -4.068 -9.356 3.637 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -3.879 -11.017 1.803 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -5.292 -11.323 2.840 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -5.508 -10.570 1.243 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -2.995 -8.706 1.502 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -4.559 -8.097 0.910 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -3.775 -7.326 2.309 1.00 0.00 H new ATOM 1729 N ARG A 116 -7.815 -5.732 4.411 1.00 0.00 N ATOM 1730 CA ARG A 116 -9.119 -5.209 4.871 1.00 0.00 C ATOM 1731 C ARG A 116 -10.167 -5.326 3.752 1.00 0.00 C ATOM 1732 O ARG A 116 -9.821 -5.273 2.596 1.00 0.00 O ATOM 1733 CB ARG A 116 -8.967 -3.711 5.279 1.00 0.00 C ATOM 1734 CG ARG A 116 -8.388 -3.441 6.674 1.00 0.00 C ATOM 1735 CD ARG A 116 -9.456 -3.528 7.773 1.00 0.00 C ATOM 1736 NE ARG A 116 -8.901 -3.143 9.070 1.00 0.00 N ATOM 1737 CZ ARG A 116 -9.566 -3.063 10.219 1.00 0.00 C ATOM 1738 NH1 ARG A 116 -10.848 -3.404 10.306 1.00 0.00 N ATOM 1739 NH2 ARG A 116 -8.915 -2.634 11.285 1.00 0.00 N ATOM 0 H ARG A 116 -7.220 -5.018 3.990 1.00 0.00 H new ATOM 0 HA ARG A 116 -9.448 -5.795 5.729 1.00 0.00 H new ATOM 0 HB2 ARG A 116 -8.330 -3.219 4.543 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -9.948 -3.239 5.218 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -7.596 -4.160 6.882 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -7.932 -2.451 6.691 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -10.294 -2.877 7.524 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -9.846 -4.544 7.827 1.00 0.00 H new ATOM 0 HE ARG A 116 -7.907 -2.914 9.096 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -11.345 -3.736 9.479 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -11.335 -3.333 11.199 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -7.931 -2.376 11.212 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -9.396 -2.561 12.181 1.00 0.00 H new ATOM 1753 N VAL A 117 -11.432 -5.526 4.124 1.00 0.00 N ATOM 1754 CA VAL A 117 -12.589 -5.236 3.248 1.00 0.00 C ATOM 1755 C VAL A 117 -13.667 -4.588 4.106 1.00 0.00 C ATOM 1756 O VAL A 117 -13.961 -5.092 5.189 1.00 0.00 O ATOM 1757 CB VAL A 117 -13.136 -6.493 2.453 1.00 0.00 C ATOM 1758 CG1 VAL A 117 -13.626 -7.633 3.356 1.00 0.00 C ATOM 1759 CG2 VAL A 117 -14.212 -6.078 1.411 1.00 0.00 C ATOM 0 H VAL A 117 -11.693 -5.893 5.039 1.00 0.00 H new ATOM 0 HA VAL A 117 -12.262 -4.557 2.460 1.00 0.00 H new ATOM 0 HB VAL A 117 -12.281 -6.900 1.914 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -13.985 -8.457 2.739 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -12.804 -7.980 3.982 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -14.437 -7.273 3.989 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -14.567 -6.963 0.883 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -15.048 -5.601 1.922 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -13.776 -5.379 0.697 1.00 0.00 H new ATOM 1769 N TYR A 118 -14.232 -3.447 3.657 1.00 0.00 N ATOM 1770 CA TYR A 118 -15.200 -2.693 4.470 1.00 0.00 C ATOM 1771 C TYR A 118 -16.394 -2.186 3.656 1.00 0.00 C ATOM 1772 O TYR A 118 -16.330 -2.108 2.424 1.00 0.00 O ATOM 1773 CB TYR A 118 -14.518 -1.539 5.255 1.00 0.00 C ATOM 1774 CG TYR A 118 -14.075 -0.329 4.431 1.00 0.00 C ATOM 1775 CD1 TYR A 118 -12.950 -0.386 3.609 1.00 0.00 C ATOM 1776 CD2 TYR A 118 -14.771 0.887 4.506 1.00 0.00 C ATOM 1777 CE1 TYR A 118 -12.540 0.719 2.896 1.00 0.00 C ATOM 1778 CE2 TYR A 118 -14.366 1.988 3.789 1.00 0.00 C ATOM 1779 CZ TYR A 118 -13.251 1.903 2.988 1.00 0.00 C ATOM 1780 OH TYR A 118 -12.830 3.018 2.290 1.00 0.00 O ATOM 0 H TYR A 118 -14.035 -3.034 2.745 1.00 0.00 H new ATOM 0 HA TYR A 118 -15.599 -3.400 5.198 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -15.208 -1.194 6.025 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -13.645 -1.943 5.767 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -12.393 -1.308 3.530 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -15.642 0.960 5.140 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -11.665 0.662 2.266 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -14.919 2.913 3.854 1.00 0.00 H new ATOM 0 HH TYR A 118 -11.861 3.122 2.394 1.00 0.00 H new ATOM 1790 N ALA A 119 -17.453 -1.810 4.368 1.00 0.00 N ATOM 1791 CA ALA A 119 -18.597 -1.082 3.820 1.00 0.00 C ATOM 1792 C ALA A 119 -18.745 0.184 4.653 1.00 0.00 C ATOM 1793 O ALA A 119 -19.083 0.090 5.824 1.00 0.00 O ATOM 1794 CB ALA A 119 -19.870 -1.938 3.906 1.00 0.00 C ATOM 0 H ALA A 119 -17.543 -2.007 5.365 1.00 0.00 H new ATOM 0 HA ALA A 119 -18.443 -0.842 2.768 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -20.711 -1.381 3.494 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -19.730 -2.857 3.337 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -20.073 -2.184 4.948 1.00 0.00 H new ATOM 1800 N PHE A 120 -18.477 1.352 4.048 1.00 0.00 N ATOM 1801 CA PHE A 120 -18.362 2.627 4.782 1.00 0.00 C ATOM 1802 C PHE A 120 -19.744 3.086 5.290 1.00 0.00 C ATOM 1803 O PHE A 120 -20.660 3.281 4.492 1.00 0.00 O ATOM 1804 CB PHE A 120 -17.727 3.711 3.869 1.00 0.00 C ATOM 1805 CG PHE A 120 -17.394 5.023 4.585 1.00 0.00 C ATOM 1806 CD1 PHE A 120 -16.334 5.082 5.489 1.00 0.00 C ATOM 1807 CD2 PHE A 120 -18.121 6.192 4.348 1.00 0.00 C ATOM 1808 CE1 PHE A 120 -16.012 6.262 6.129 1.00 0.00 C ATOM 1809 CE2 PHE A 120 -17.797 7.372 4.990 1.00 0.00 C ATOM 1810 CZ PHE A 120 -16.742 7.408 5.880 1.00 0.00 C ATOM 0 H PHE A 120 -18.334 1.442 3.042 1.00 0.00 H new ATOM 0 HA PHE A 120 -17.716 2.476 5.647 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -16.814 3.309 3.429 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -18.411 3.923 3.047 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -15.757 4.192 5.691 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -18.948 6.173 3.653 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -15.187 6.289 6.826 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -18.369 8.267 4.795 1.00 0.00 H new ATOM 0 HZ PHE A 120 -16.488 8.331 6.381 1.00 0.00 H new ATOM 1820 N ALA A 121 -19.887 3.224 6.625 1.00 0.00 N ATOM 1821 CA ALA A 121 -21.162 3.603 7.261 1.00 0.00 C ATOM 1822 C ALA A 121 -21.422 5.109 7.101 1.00 0.00 C ATOM 1823 O ALA A 121 -20.926 5.925 7.886 1.00 0.00 O ATOM 1824 CB ALA A 121 -21.171 3.183 8.749 1.00 0.00 C ATOM 0 H ALA A 121 -19.125 3.076 7.287 1.00 0.00 H new ATOM 0 HA ALA A 121 -21.972 3.073 6.760 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -22.120 3.471 9.203 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -21.046 2.103 8.823 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -20.354 3.679 9.272 1.00 0.00 H new ATOM 1830 N GLY A 122 -22.190 5.458 6.059 1.00 0.00 N ATOM 1831 CA GLY A 122 -22.548 6.845 5.777 1.00 0.00 C ATOM 1832 C GLY A 122 -23.265 7.001 4.438 1.00 0.00 C ATOM 1833 O GLY A 122 -22.988 6.214 3.516 1.00 0.00 O ATOM 1834 OXT GLY A 122 -24.107 7.913 4.294 1.00 0.00 O ATOM 0 H GLY A 122 -22.576 4.787 5.395 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -23.188 7.221 6.575 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -21.646 7.457 5.776 1.00 0.00 H new TER 1838 GLY A 122 ATOM 1839 N MET B 1 -15.250 -8.919 -7.695 1.00 0.00 N ATOM 1840 CA MET B 1 -16.457 -8.251 -7.125 1.00 0.00 C ATOM 1841 C MET B 1 -16.066 -7.079 -6.196 1.00 0.00 C ATOM 1842 O MET B 1 -16.927 -6.303 -5.762 1.00 0.00 O ATOM 1843 CB MET B 1 -17.331 -9.288 -6.354 1.00 0.00 C ATOM 1844 CG MET B 1 -16.687 -9.859 -5.070 1.00 0.00 C ATOM 1845 SD MET B 1 -15.140 -10.743 -5.385 1.00 0.00 S ATOM 1846 CE MET B 1 -14.584 -11.145 -3.718 1.00 0.00 C ATOM 0 H1 MET B 1 -15.538 -9.560 -8.462 1.00 0.00 H new ATOM 0 H2 MET B 1 -14.600 -8.199 -8.070 1.00 0.00 H new ATOM 0 H3 MET B 1 -14.771 -9.464 -6.950 1.00 0.00 H new ATOM 0 HA MET B 1 -17.038 -7.841 -7.951 1.00 0.00 H new ATOM 0 HB2 MET B 1 -18.278 -8.817 -6.089 1.00 0.00 H new ATOM 0 HB3 MET B 1 -17.563 -10.115 -7.025 1.00 0.00 H new ATOM 0 HG2 MET B 1 -16.497 -9.043 -4.372 1.00 0.00 H new ATOM 0 HG3 MET B 1 -17.393 -10.534 -4.586 1.00 0.00 H new ATOM 0 HE1 MET B 1 -13.512 -11.341 -3.729 1.00 0.00 H new ATOM 0 HE2 MET B 1 -14.793 -10.307 -3.053 1.00 0.00 H new ATOM 0 HE3 MET B 1 -15.111 -12.030 -3.362 1.00 0.00 H new ATOM 1856 N THR B 2 -14.753 -6.938 -5.930 1.00 0.00 N ATOM 1857 CA THR B 2 -14.225 -6.109 -4.838 1.00 0.00 C ATOM 1858 C THR B 2 -12.966 -5.344 -5.299 1.00 0.00 C ATOM 1859 O THR B 2 -12.086 -5.919 -5.953 1.00 0.00 O ATOM 1860 CB THR B 2 -13.907 -7.032 -3.623 1.00 0.00 C ATOM 1861 OG1 THR B 2 -15.099 -7.719 -3.239 1.00 0.00 O ATOM 1862 CG2 THR B 2 -13.373 -6.264 -2.423 1.00 0.00 C ATOM 0 H THR B 2 -14.026 -7.402 -6.474 1.00 0.00 H new ATOM 0 HA THR B 2 -14.967 -5.367 -4.543 1.00 0.00 H new ATOM 0 HB THR B 2 -13.130 -7.728 -3.937 1.00 0.00 H new ATOM 0 HG1 THR B 2 -14.981 -8.105 -2.346 1.00 0.00 H new ATOM 0 HG21 THR B 2 -13.170 -6.958 -1.608 1.00 0.00 H new ATOM 0 HG22 THR B 2 -12.453 -5.750 -2.700 1.00 0.00 H new ATOM 0 HG23 THR B 2 -14.114 -5.533 -2.100 1.00 0.00 H new ATOM 1870 N HIS B 3 -12.883 -4.037 -4.953 1.00 0.00 N ATOM 1871 CA HIS B 3 -11.880 -3.109 -5.526 1.00 0.00 C ATOM 1872 C HIS B 3 -11.090 -2.383 -4.404 1.00 0.00 C ATOM 1873 O HIS B 3 -11.607 -1.428 -3.809 1.00 0.00 O ATOM 1874 CB HIS B 3 -12.593 -2.074 -6.445 1.00 0.00 C ATOM 1875 CG HIS B 3 -13.552 -2.672 -7.455 1.00 0.00 C ATOM 1876 ND1 HIS B 3 -13.218 -2.918 -8.766 1.00 0.00 N ATOM 1877 CD2 HIS B 3 -14.843 -3.083 -7.324 1.00 0.00 C ATOM 1878 CE1 HIS B 3 -14.250 -3.454 -9.393 1.00 0.00 C ATOM 1879 NE2 HIS B 3 -15.245 -3.564 -8.543 1.00 0.00 N ATOM 0 H HIS B 3 -13.505 -3.599 -4.274 1.00 0.00 H new ATOM 0 HA HIS B 3 -11.168 -3.685 -6.117 1.00 0.00 H new ATOM 0 HB2 HIS B 3 -13.141 -1.370 -5.818 1.00 0.00 H new ATOM 0 HB3 HIS B 3 -11.835 -1.502 -6.980 1.00 0.00 H new ATOM 0 HD2 HIS B 3 -15.440 -3.038 -6.425 1.00 0.00 H new ATOM 0 HE1 HIS B 3 -14.272 -3.752 -10.431 1.00 0.00 H new ATOM 0 HE2 HIS B 3 -16.167 -3.945 -8.755 1.00 0.00 H new ATOM 1888 N PRO B 4 -9.839 -2.845 -4.064 1.00 0.00 N ATOM 1889 CA PRO B 4 -8.949 -2.126 -3.124 1.00 0.00 C ATOM 1890 C PRO B 4 -8.356 -0.859 -3.752 1.00 0.00 C ATOM 1891 O PRO B 4 -7.427 -0.927 -4.555 1.00 0.00 O ATOM 1892 CB PRO B 4 -7.857 -3.161 -2.773 1.00 0.00 C ATOM 1893 CG PRO B 4 -7.810 -4.063 -3.965 1.00 0.00 C ATOM 1894 CD PRO B 4 -9.223 -4.115 -4.529 1.00 0.00 C ATOM 0 HA PRO B 4 -9.481 -1.770 -2.242 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -6.894 -2.681 -2.599 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -8.107 -3.712 -1.866 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -7.110 -3.685 -4.710 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -7.469 -5.059 -3.684 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -9.217 -4.181 -5.617 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -9.769 -4.983 -4.160 1.00 0.00 H new ATOM 1902 N ASP B 5 -8.935 0.287 -3.390 1.00 0.00 N ATOM 1903 CA ASP B 5 -8.503 1.611 -3.887 1.00 0.00 C ATOM 1904 C ASP B 5 -7.947 2.457 -2.725 1.00 0.00 C ATOM 1905 O ASP B 5 -7.503 3.595 -2.905 1.00 0.00 O ATOM 1906 CB ASP B 5 -9.708 2.310 -4.565 1.00 0.00 C ATOM 1907 CG ASP B 5 -9.301 3.505 -5.447 1.00 0.00 C ATOM 1908 OD1 ASP B 5 -8.839 3.273 -6.581 1.00 0.00 O ATOM 1909 OD2 ASP B 5 -9.446 4.663 -5.020 1.00 0.00 O ATOM 0 H ASP B 5 -9.721 0.332 -2.741 1.00 0.00 H new ATOM 0 HA ASP B 5 -7.706 1.493 -4.621 1.00 0.00 H new ATOM 0 HB2 ASP B 5 -10.245 1.583 -5.175 1.00 0.00 H new ATOM 0 HB3 ASP B 5 -10.400 2.654 -3.796 1.00 0.00 H new ATOM 1914 N PHE B 6 -7.905 1.837 -1.544 1.00 0.00 N ATOM 1915 CA PHE B 6 -7.619 2.509 -0.283 1.00 0.00 C ATOM 1916 C PHE B 6 -6.467 1.758 0.398 1.00 0.00 C ATOM 1917 O PHE B 6 -6.607 0.599 0.751 1.00 0.00 O ATOM 1918 CB PHE B 6 -8.918 2.521 0.581 1.00 0.00 C ATOM 1919 CG PHE B 6 -8.856 3.215 1.954 1.00 0.00 C ATOM 1920 CD1 PHE B 6 -7.962 4.240 2.231 1.00 0.00 C ATOM 1921 CD2 PHE B 6 -9.749 2.853 2.962 1.00 0.00 C ATOM 1922 CE1 PHE B 6 -7.970 4.864 3.456 1.00 0.00 C ATOM 1923 CE2 PHE B 6 -9.747 3.474 4.189 1.00 0.00 C ATOM 1924 CZ PHE B 6 -8.856 4.482 4.438 1.00 0.00 C ATOM 0 H PHE B 6 -8.072 0.836 -1.439 1.00 0.00 H new ATOM 0 HA PHE B 6 -7.313 3.545 -0.428 1.00 0.00 H new ATOM 0 HB2 PHE B 6 -9.705 3.000 -0.002 1.00 0.00 H new ATOM 0 HB3 PHE B 6 -9.224 1.487 0.741 1.00 0.00 H new ATOM 0 HD1 PHE B 6 -7.254 4.550 1.477 1.00 0.00 H new ATOM 0 HD2 PHE B 6 -10.462 2.063 2.774 1.00 0.00 H new ATOM 0 HE1 PHE B 6 -7.272 5.665 3.651 1.00 0.00 H new ATOM 0 HE2 PHE B 6 -10.446 3.167 4.953 1.00 0.00 H new ATOM 0 HZ PHE B 6 -8.848 4.975 5.399 1.00 0.00 H new ATOM 1934 N THR B 7 -5.310 2.414 0.502 1.00 0.00 N ATOM 1935 CA THR B 7 -4.143 1.880 1.222 1.00 0.00 C ATOM 1936 C THR B 7 -3.977 2.660 2.525 1.00 0.00 C ATOM 1937 O THR B 7 -4.137 3.874 2.552 1.00 0.00 O ATOM 1938 CB THR B 7 -2.836 1.948 0.362 1.00 0.00 C ATOM 1939 OG1 THR B 7 -1.723 1.425 1.112 1.00 0.00 O ATOM 1940 CG2 THR B 7 -2.514 3.380 -0.123 1.00 0.00 C ATOM 0 H THR B 7 -5.151 3.333 0.090 1.00 0.00 H new ATOM 0 HA THR B 7 -4.316 0.825 1.435 1.00 0.00 H new ATOM 0 HB THR B 7 -3.008 1.338 -0.525 1.00 0.00 H new ATOM 0 HG1 THR B 7 -1.003 1.173 0.496 1.00 0.00 H new ATOM 0 HG21 THR B 7 -1.598 3.367 -0.714 1.00 0.00 H new ATOM 0 HG22 THR B 7 -3.336 3.750 -0.736 1.00 0.00 H new ATOM 0 HG23 THR B 7 -2.381 4.034 0.738 1.00 0.00 H new ATOM 1948 N ILE B 8 -3.689 1.937 3.614 1.00 0.00 N ATOM 1949 CA ILE B 8 -3.600 2.507 4.967 1.00 0.00 C ATOM 1950 C ILE B 8 -2.196 2.269 5.535 1.00 0.00 C ATOM 1951 O ILE B 8 -1.650 1.167 5.412 1.00 0.00 O ATOM 1952 CB ILE B 8 -4.674 1.863 5.929 1.00 0.00 C ATOM 1953 CG1 ILE B 8 -6.101 1.946 5.301 1.00 0.00 C ATOM 1954 CG2 ILE B 8 -4.639 2.527 7.328 1.00 0.00 C ATOM 1955 CD1 ILE B 8 -7.208 1.334 6.144 1.00 0.00 C ATOM 0 H ILE B 8 -3.510 0.933 3.583 1.00 0.00 H new ATOM 0 HA ILE B 8 -3.797 3.577 4.900 1.00 0.00 H new ATOM 0 HB ILE B 8 -4.424 0.810 6.057 1.00 0.00 H new ATOM 0 HG12 ILE B 8 -6.341 2.993 5.117 1.00 0.00 H new ATOM 0 HG13 ILE B 8 -6.085 1.448 4.332 1.00 0.00 H new ATOM 0 HG21 ILE B 8 -5.389 2.064 7.969 1.00 0.00 H new ATOM 0 HG22 ILE B 8 -3.651 2.394 7.769 1.00 0.00 H new ATOM 0 HG23 ILE B 8 -4.852 3.592 7.231 1.00 0.00 H new ATOM 0 HD11 ILE B 8 -8.161 1.440 5.626 1.00 0.00 H new ATOM 0 HD12 ILE B 8 -6.999 0.277 6.307 1.00 0.00 H new ATOM 0 HD13 ILE B 8 -7.259 1.846 7.105 1.00 0.00 H new ATOM 1967 N LEU B 9 -1.615 3.306 6.156 1.00 0.00 N ATOM 1968 CA LEU B 9 -0.342 3.198 6.888 1.00 0.00 C ATOM 1969 C LEU B 9 -0.634 3.353 8.387 1.00 0.00 C ATOM 1970 O LEU B 9 -1.481 4.146 8.804 1.00 0.00 O ATOM 1971 CB LEU B 9 0.687 4.234 6.359 1.00 0.00 C ATOM 1972 CG LEU B 9 1.125 4.003 4.868 1.00 0.00 C ATOM 1973 CD1 LEU B 9 2.118 5.069 4.392 1.00 0.00 C ATOM 1974 CD2 LEU B 9 1.691 2.577 4.659 1.00 0.00 C ATOM 0 H LEU B 9 -2.014 4.245 6.166 1.00 0.00 H new ATOM 0 HA LEU B 9 0.113 2.221 6.727 1.00 0.00 H new ATOM 0 HB2 LEU B 9 0.260 5.233 6.450 1.00 0.00 H new ATOM 0 HB3 LEU B 9 1.572 4.207 6.994 1.00 0.00 H new ATOM 0 HG LEU B 9 0.229 4.099 4.254 1.00 0.00 H new ATOM 0 HD11 LEU B 9 2.395 4.872 3.356 1.00 0.00 H new ATOM 0 HD12 LEU B 9 1.656 6.054 4.463 1.00 0.00 H new ATOM 0 HD13 LEU B 9 3.010 5.040 5.018 1.00 0.00 H new ATOM 0 HD21 LEU B 9 1.984 2.451 3.617 1.00 0.00 H new ATOM 0 HD22 LEU B 9 2.560 2.433 5.301 1.00 0.00 H new ATOM 0 HD23 LEU B 9 0.927 1.842 4.912 1.00 0.00 H new ATOM 1986 N TYR B 10 0.104 2.560 9.172 1.00 0.00 N ATOM 1987 CA TYR B 10 -0.070 2.409 10.625 1.00 0.00 C ATOM 1988 C TYR B 10 0.896 3.358 11.370 1.00 0.00 C ATOM 1989 O TYR B 10 2.096 3.319 11.124 1.00 0.00 O ATOM 1990 CB TYR B 10 0.194 0.913 11.014 1.00 0.00 C ATOM 1991 CG TYR B 10 1.652 0.437 10.751 1.00 0.00 C ATOM 1992 CD1 TYR B 10 2.105 0.147 9.457 1.00 0.00 C ATOM 1993 CD2 TYR B 10 2.583 0.337 11.790 1.00 0.00 C ATOM 1994 CE1 TYR B 10 3.416 -0.220 9.215 1.00 0.00 C ATOM 1995 CE2 TYR B 10 3.889 -0.035 11.548 1.00 0.00 C ATOM 1996 CZ TYR B 10 4.304 -0.311 10.264 1.00 0.00 C ATOM 1997 OH TYR B 10 5.618 -0.667 10.027 1.00 0.00 O ATOM 0 H TYR B 10 0.863 1.987 8.804 1.00 0.00 H new ATOM 0 HA TYR B 10 -1.087 2.674 10.912 1.00 0.00 H new ATOM 0 HB2 TYR B 10 -0.036 0.777 12.071 1.00 0.00 H new ATOM 0 HB3 TYR B 10 -0.491 0.277 10.454 1.00 0.00 H new ATOM 0 HD1 TYR B 10 1.414 0.212 8.629 1.00 0.00 H new ATOM 0 HD2 TYR B 10 2.273 0.555 12.801 1.00 0.00 H new ATOM 0 HE1 TYR B 10 3.742 -0.434 8.208 1.00 0.00 H new ATOM 0 HE2 TYR B 10 4.588 -0.110 12.368 1.00 0.00 H new ATOM 0 HH TYR B 10 6.197 -0.247 10.698 1.00 0.00 H new ATOM 2007 N VAL B 11 0.390 4.225 12.257 1.00 0.00 N ATOM 2008 CA VAL B 11 1.240 5.185 13.012 1.00 0.00 C ATOM 2009 C VAL B 11 0.938 5.084 14.508 1.00 0.00 C ATOM 2010 O VAL B 11 -0.065 4.516 14.917 1.00 0.00 O ATOM 2011 CB VAL B 11 1.056 6.676 12.515 1.00 0.00 C ATOM 2012 CG1 VAL B 11 1.488 6.831 11.041 1.00 0.00 C ATOM 2013 CG2 VAL B 11 -0.383 7.197 12.734 1.00 0.00 C ATOM 0 H VAL B 11 -0.604 4.289 12.477 1.00 0.00 H new ATOM 0 HA VAL B 11 2.280 4.914 12.828 1.00 0.00 H new ATOM 0 HB VAL B 11 1.712 7.295 13.127 1.00 0.00 H new ATOM 0 HG11 VAL B 11 1.350 7.866 10.728 1.00 0.00 H new ATOM 0 HG12 VAL B 11 2.538 6.558 10.939 1.00 0.00 H new ATOM 0 HG13 VAL B 11 0.881 6.178 10.413 1.00 0.00 H new ATOM 0 HG21 VAL B 11 -0.456 8.224 12.376 1.00 0.00 H new ATOM 0 HG22 VAL B 11 -1.085 6.570 12.184 1.00 0.00 H new ATOM 0 HG23 VAL B 11 -0.624 7.165 13.797 1.00 0.00 H new ATOM 2023 N ASP B 12 1.848 5.625 15.316 1.00 0.00 N ATOM 2024 CA ASP B 12 1.757 5.636 16.782 1.00 0.00 C ATOM 2025 C ASP B 12 1.718 7.108 17.252 1.00 0.00 C ATOM 2026 O ASP B 12 2.340 7.489 18.252 1.00 0.00 O ATOM 2027 CB ASP B 12 2.956 4.838 17.362 1.00 0.00 C ATOM 2028 CG ASP B 12 2.840 4.574 18.865 1.00 0.00 C ATOM 2029 OD1 ASP B 12 1.950 3.786 19.257 1.00 0.00 O ATOM 2030 OD2 ASP B 12 3.626 5.133 19.657 1.00 0.00 O ATOM 0 H ASP B 12 2.691 6.080 14.965 1.00 0.00 H new ATOM 0 HA ASP B 12 0.849 5.152 17.142 1.00 0.00 H new ATOM 0 HB2 ASP B 12 3.036 3.885 16.838 1.00 0.00 H new ATOM 0 HB3 ASP B 12 3.877 5.387 17.167 1.00 0.00 H new ATOM 2035 N ASN B 13 0.895 7.908 16.550 1.00 0.00 N ATOM 2036 CA ASN B 13 1.052 9.383 16.512 1.00 0.00 C ATOM 2037 C ASN B 13 -0.034 10.026 15.610 1.00 0.00 C ATOM 2038 O ASN B 13 0.256 10.423 14.477 1.00 0.00 O ATOM 2039 CB ASN B 13 2.497 9.724 16.003 1.00 0.00 C ATOM 2040 CG ASN B 13 2.926 11.175 16.111 1.00 0.00 C ATOM 2041 OD1 ASN B 13 2.467 11.918 16.977 1.00 0.00 O ATOM 2042 ND2 ASN B 13 3.848 11.568 15.235 1.00 0.00 N ATOM 0 H ASN B 13 0.110 7.561 15.998 1.00 0.00 H new ATOM 0 HA ASN B 13 0.921 9.795 17.513 1.00 0.00 H new ATOM 0 HB2 ASN B 13 3.208 9.115 16.561 1.00 0.00 H new ATOM 0 HB3 ASN B 13 2.571 9.423 14.958 1.00 0.00 H new ATOM 0 HD21 ASN B 13 4.205 12.523 15.264 1.00 0.00 H new ATOM 0 HD22 ASN B 13 4.198 10.914 14.535 1.00 0.00 H new ATOM 2049 N PRO B 14 -1.326 10.117 16.079 1.00 0.00 N ATOM 2050 CA PRO B 14 -2.426 10.674 15.257 1.00 0.00 C ATOM 2051 C PRO B 14 -2.182 12.158 14.778 1.00 0.00 C ATOM 2052 O PRO B 14 -2.028 12.342 13.571 1.00 0.00 O ATOM 2053 CB PRO B 14 -3.703 10.476 16.132 1.00 0.00 C ATOM 2054 CG PRO B 14 -3.304 9.461 17.171 1.00 0.00 C ATOM 2055 CD PRO B 14 -1.819 9.665 17.407 1.00 0.00 C ATOM 0 HA PRO B 14 -2.519 10.159 14.301 1.00 0.00 H new ATOM 0 HB2 PRO B 14 -4.015 11.413 16.594 1.00 0.00 H new ATOM 0 HB3 PRO B 14 -4.542 10.120 15.533 1.00 0.00 H new ATOM 0 HG2 PRO B 14 -3.869 9.603 18.092 1.00 0.00 H new ATOM 0 HG3 PRO B 14 -3.508 8.448 16.825 1.00 0.00 H new ATOM 0 HD2 PRO B 14 -1.632 10.409 18.181 1.00 0.00 H new ATOM 0 HD3 PRO B 14 -1.331 8.744 17.726 1.00 0.00 H new ATOM 2063 N PRO B 15 -2.077 13.241 15.665 1.00 0.00 N ATOM 2064 CA PRO B 15 -1.910 14.644 15.174 1.00 0.00 C ATOM 2065 C PRO B 15 -0.632 14.826 14.316 1.00 0.00 C ATOM 2066 O PRO B 15 -0.707 15.138 13.123 1.00 0.00 O ATOM 2067 CB PRO B 15 -1.858 15.505 16.477 1.00 0.00 C ATOM 2068 CG PRO B 15 -2.494 14.640 17.523 1.00 0.00 C ATOM 2069 CD PRO B 15 -2.100 13.223 17.158 1.00 0.00 C ATOM 0 HA PRO B 15 -2.723 14.938 14.511 1.00 0.00 H new ATOM 0 HB2 PRO B 15 -0.832 15.761 16.743 1.00 0.00 H new ATOM 0 HB3 PRO B 15 -2.399 16.443 16.355 1.00 0.00 H new ATOM 0 HG2 PRO B 15 -2.140 14.903 18.520 1.00 0.00 H new ATOM 0 HG3 PRO B 15 -3.577 14.759 17.527 1.00 0.00 H new ATOM 0 HD2 PRO B 15 -1.127 12.958 17.571 1.00 0.00 H new ATOM 0 HD3 PRO B 15 -2.817 12.496 17.540 1.00 0.00 H new ATOM 2077 N ALA B 16 0.525 14.557 14.946 1.00 0.00 N ATOM 2078 CA ALA B 16 1.847 14.958 14.425 1.00 0.00 C ATOM 2079 C ALA B 16 2.226 14.214 13.135 1.00 0.00 C ATOM 2080 O ALA B 16 2.778 14.829 12.210 1.00 0.00 O ATOM 2081 CB ALA B 16 2.927 14.773 15.492 1.00 0.00 C ATOM 0 H ALA B 16 0.571 14.055 15.832 1.00 0.00 H new ATOM 0 HA ALA B 16 1.778 16.016 14.170 1.00 0.00 H new ATOM 0 HB1 ALA B 16 3.893 15.074 15.088 1.00 0.00 H new ATOM 0 HB2 ALA B 16 2.690 15.388 16.360 1.00 0.00 H new ATOM 0 HB3 ALA B 16 2.969 13.725 15.790 1.00 0.00 H new ATOM 2087 N SER B 17 1.907 12.903 13.052 1.00 0.00 N ATOM 2088 CA SER B 17 2.266 12.099 11.870 1.00 0.00 C ATOM 2089 C SER B 17 1.317 12.410 10.715 1.00 0.00 C ATOM 2090 O SER B 17 1.716 12.341 9.555 1.00 0.00 O ATOM 2091 CB SER B 17 2.231 10.589 12.169 1.00 0.00 C ATOM 2092 OG SER B 17 2.705 9.831 11.065 1.00 0.00 O ATOM 0 H SER B 17 1.409 12.389 13.779 1.00 0.00 H new ATOM 0 HA SER B 17 3.286 12.365 11.594 1.00 0.00 H new ATOM 0 HB2 SER B 17 2.841 10.376 13.047 1.00 0.00 H new ATOM 0 HB3 SER B 17 1.211 10.287 12.408 1.00 0.00 H new ATOM 0 HG SER B 17 3.499 9.323 11.334 1.00 0.00 H new ATOM 2098 N THR B 18 0.070 12.808 11.026 1.00 0.00 N ATOM 2099 CA THR B 18 -0.888 13.208 9.992 1.00 0.00 C ATOM 2100 C THR B 18 -0.550 14.564 9.341 1.00 0.00 C ATOM 2101 O THR B 18 -0.718 14.740 8.136 1.00 0.00 O ATOM 2102 CB THR B 18 -2.344 13.225 10.546 1.00 0.00 C ATOM 2103 OG1 THR B 18 -2.690 11.907 10.999 1.00 0.00 O ATOM 2104 CG2 THR B 18 -3.378 13.684 9.503 1.00 0.00 C ATOM 0 H THR B 18 -0.291 12.859 11.979 1.00 0.00 H new ATOM 0 HA THR B 18 -0.813 12.452 9.210 1.00 0.00 H new ATOM 0 HB THR B 18 -2.369 13.944 11.365 1.00 0.00 H new ATOM 0 HG1 THR B 18 -2.640 11.874 11.977 1.00 0.00 H new ATOM 0 HG21 THR B 18 -4.373 13.675 9.948 1.00 0.00 H new ATOM 0 HG22 THR B 18 -3.138 14.695 9.173 1.00 0.00 H new ATOM 0 HG23 THR B 18 -3.357 13.008 8.648 1.00 0.00 H new ATOM 2112 N GLN B 19 0.017 15.481 10.172 1.00 0.00 N ATOM 2113 CA GLN B 19 0.597 16.759 9.701 1.00 0.00 C ATOM 2114 C GLN B 19 1.799 16.469 8.789 1.00 0.00 C ATOM 2115 O GLN B 19 2.020 17.172 7.791 1.00 0.00 O ATOM 2116 CB GLN B 19 1.061 17.641 10.890 1.00 0.00 C ATOM 2117 CG GLN B 19 -0.030 18.068 11.886 1.00 0.00 C ATOM 2118 CD GLN B 19 -1.044 19.050 11.313 1.00 0.00 C ATOM 2119 OE1 GLN B 19 -2.098 18.661 10.823 1.00 0.00 O ATOM 2120 NE2 GLN B 19 -0.714 20.328 11.339 1.00 0.00 N ATOM 0 H GLN B 19 0.082 15.351 11.182 1.00 0.00 H new ATOM 0 HA GLN B 19 -0.174 17.300 9.152 1.00 0.00 H new ATOM 0 HB2 GLN B 19 1.832 17.099 11.438 1.00 0.00 H new ATOM 0 HB3 GLN B 19 1.528 18.540 10.488 1.00 0.00 H new ATOM 0 HG2 GLN B 19 -0.557 17.180 12.234 1.00 0.00 H new ATOM 0 HG3 GLN B 19 0.445 18.519 12.757 1.00 0.00 H new ATOM 0 HE21 GLN B 19 0.171 20.618 11.755 1.00 0.00 H new ATOM 0 HE22 GLN B 19 -1.344 21.026 10.943 1.00 0.00 H new ATOM 2129 N PHE B 20 2.571 15.428 9.156 1.00 0.00 N ATOM 2130 CA PHE B 20 3.764 15.033 8.404 1.00 0.00 C ATOM 2131 C PHE B 20 3.354 14.516 7.016 1.00 0.00 C ATOM 2132 O PHE B 20 3.976 14.898 6.024 1.00 0.00 O ATOM 2133 CB PHE B 20 4.586 13.952 9.160 1.00 0.00 C ATOM 2134 CG PHE B 20 5.867 13.551 8.422 1.00 0.00 C ATOM 2135 CD1 PHE B 20 6.994 14.369 8.465 1.00 0.00 C ATOM 2136 CD2 PHE B 20 5.924 12.393 7.637 1.00 0.00 C ATOM 2137 CE1 PHE B 20 8.131 14.043 7.762 1.00 0.00 C ATOM 2138 CE2 PHE B 20 7.065 12.080 6.927 1.00 0.00 C ATOM 2139 CZ PHE B 20 8.166 12.903 6.992 1.00 0.00 C ATOM 0 H PHE B 20 2.383 14.847 9.973 1.00 0.00 H new ATOM 0 HA PHE B 20 4.400 15.911 8.293 1.00 0.00 H new ATOM 0 HB2 PHE B 20 4.846 14.327 10.150 1.00 0.00 H new ATOM 0 HB3 PHE B 20 3.966 13.068 9.307 1.00 0.00 H new ATOM 0 HD1 PHE B 20 6.975 15.271 9.058 1.00 0.00 H new ATOM 0 HD2 PHE B 20 5.066 11.738 7.587 1.00 0.00 H new ATOM 0 HE1 PHE B 20 8.999 14.684 7.815 1.00 0.00 H new ATOM 0 HE2 PHE B 20 7.094 11.188 6.319 1.00 0.00 H new ATOM 0 HZ PHE B 20 9.059 12.654 6.438 1.00 0.00 H new ATOM 2149 N TYR B 21 2.278 13.699 6.946 1.00 0.00 N ATOM 2150 CA TYR B 21 1.737 13.207 5.662 1.00 0.00 C ATOM 2151 C TYR B 21 1.119 14.368 4.869 1.00 0.00 C ATOM 2152 O TYR B 21 1.146 14.335 3.644 1.00 0.00 O ATOM 2153 CB TYR B 21 0.744 12.034 5.878 1.00 0.00 C ATOM 2154 CG TYR B 21 1.450 10.677 6.053 1.00 0.00 C ATOM 2155 CD1 TYR B 21 2.013 10.297 7.274 1.00 0.00 C ATOM 2156 CD2 TYR B 21 1.578 9.787 4.980 1.00 0.00 C ATOM 2157 CE1 TYR B 21 2.675 9.098 7.421 1.00 0.00 C ATOM 2158 CE2 TYR B 21 2.236 8.586 5.126 1.00 0.00 C ATOM 2159 CZ TYR B 21 2.781 8.245 6.347 1.00 0.00 C ATOM 2160 OH TYR B 21 3.436 7.046 6.496 1.00 0.00 O ATOM 0 H TYR B 21 1.768 13.368 7.765 1.00 0.00 H new ATOM 0 HA TYR B 21 2.556 12.804 5.066 1.00 0.00 H new ATOM 0 HB2 TYR B 21 0.135 12.237 6.759 1.00 0.00 H new ATOM 0 HB3 TYR B 21 0.065 11.978 5.027 1.00 0.00 H new ATOM 0 HD1 TYR B 21 1.927 10.959 8.123 1.00 0.00 H new ATOM 0 HD2 TYR B 21 1.154 10.047 4.021 1.00 0.00 H new ATOM 0 HE1 TYR B 21 3.108 8.829 8.373 1.00 0.00 H new ATOM 0 HE2 TYR B 21 2.325 7.912 4.287 1.00 0.00 H new ATOM 0 HH TYR B 21 3.973 7.066 7.316 1.00 0.00 H new ATOM 2170 N LYS B 22 0.555 15.380 5.554 1.00 0.00 N ATOM 2171 CA LYS B 22 -0.053 16.551 4.880 1.00 0.00 C ATOM 2172 C LYS B 22 0.951 17.264 3.956 1.00 0.00 C ATOM 2173 O LYS B 22 0.642 17.595 2.811 1.00 0.00 O ATOM 2174 CB LYS B 22 -0.641 17.538 5.917 1.00 0.00 C ATOM 2175 CG LYS B 22 -1.991 17.109 6.527 1.00 0.00 C ATOM 2176 CD LYS B 22 -2.390 17.972 7.743 1.00 0.00 C ATOM 2177 CE LYS B 22 -2.489 19.472 7.425 1.00 0.00 C ATOM 2178 NZ LYS B 22 -2.861 20.276 8.614 1.00 0.00 N ATOM 0 H LYS B 22 0.506 15.414 6.572 1.00 0.00 H new ATOM 0 HA LYS B 22 -0.866 16.181 4.255 1.00 0.00 H new ATOM 0 HB2 LYS B 22 0.081 17.668 6.723 1.00 0.00 H new ATOM 0 HB3 LYS B 22 -0.766 18.511 5.441 1.00 0.00 H new ATOM 0 HG2 LYS B 22 -2.768 17.178 5.766 1.00 0.00 H new ATOM 0 HG3 LYS B 22 -1.933 16.064 6.830 1.00 0.00 H new ATOM 0 HD2 LYS B 22 -3.350 17.626 8.125 1.00 0.00 H new ATOM 0 HD3 LYS B 22 -1.659 17.825 8.538 1.00 0.00 H new ATOM 0 HE2 LYS B 22 -1.533 19.823 7.037 1.00 0.00 H new ATOM 0 HE3 LYS B 22 -3.228 19.626 6.639 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 -2.338 21.175 8.602 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 -3.883 20.469 8.597 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 -2.623 19.748 9.478 1.00 0.00 H new ATOM 2192 N ALA B 23 2.162 17.482 4.495 1.00 0.00 N ATOM 2193 CA ALA B 23 3.280 18.116 3.765 1.00 0.00 C ATOM 2194 C ALA B 23 3.946 17.121 2.788 1.00 0.00 C ATOM 2195 O ALA B 23 4.399 17.500 1.706 1.00 0.00 O ATOM 2196 CB ALA B 23 4.301 18.659 4.779 1.00 0.00 C ATOM 0 H ALA B 23 2.397 17.223 5.453 1.00 0.00 H new ATOM 0 HA ALA B 23 2.892 18.941 3.168 1.00 0.00 H new ATOM 0 HB1 ALA B 23 5.128 19.128 4.247 1.00 0.00 H new ATOM 0 HB2 ALA B 23 3.819 19.396 5.422 1.00 0.00 H new ATOM 0 HB3 ALA B 23 4.680 17.839 5.388 1.00 0.00 H new ATOM 2202 N LEU B 24 3.994 15.850 3.208 1.00 0.00 N ATOM 2203 CA LEU B 24 4.632 14.730 2.468 1.00 0.00 C ATOM 2204 C LEU B 24 3.977 14.480 1.093 1.00 0.00 C ATOM 2205 O LEU B 24 4.663 14.255 0.090 1.00 0.00 O ATOM 2206 CB LEU B 24 4.489 13.436 3.325 1.00 0.00 C ATOM 2207 CG LEU B 24 5.335 12.193 2.916 1.00 0.00 C ATOM 2208 CD1 LEU B 24 6.806 12.395 3.292 1.00 0.00 C ATOM 2209 CD2 LEU B 24 4.774 10.892 3.539 1.00 0.00 C ATOM 0 H LEU B 24 3.582 15.555 4.093 1.00 0.00 H new ATOM 0 HA LEU B 24 5.675 14.993 2.295 1.00 0.00 H new ATOM 0 HB2 LEU B 24 4.741 13.688 4.355 1.00 0.00 H new ATOM 0 HB3 LEU B 24 3.439 13.143 3.316 1.00 0.00 H new ATOM 0 HG LEU B 24 5.270 12.087 1.833 1.00 0.00 H new ATOM 0 HD11 LEU B 24 7.381 11.516 2.998 1.00 0.00 H new ATOM 0 HD12 LEU B 24 7.196 13.273 2.776 1.00 0.00 H new ATOM 0 HD13 LEU B 24 6.890 12.540 4.369 1.00 0.00 H new ATOM 0 HD21 LEU B 24 5.390 10.047 3.232 1.00 0.00 H new ATOM 0 HD22 LEU B 24 4.787 10.974 4.626 1.00 0.00 H new ATOM 0 HD23 LEU B 24 3.750 10.738 3.199 1.00 0.00 H new ATOM 2221 N LEU B 25 2.636 14.561 1.081 1.00 0.00 N ATOM 2222 CA LEU B 25 1.809 14.370 -0.126 1.00 0.00 C ATOM 2223 C LEU B 25 1.556 15.741 -0.789 1.00 0.00 C ATOM 2224 O LEU B 25 1.649 15.878 -2.016 1.00 0.00 O ATOM 2225 CB LEU B 25 0.463 13.697 0.273 1.00 0.00 C ATOM 2226 CG LEU B 25 0.572 12.474 1.250 1.00 0.00 C ATOM 2227 CD1 LEU B 25 -0.811 12.021 1.736 1.00 0.00 C ATOM 2228 CD2 LEU B 25 1.339 11.303 0.631 1.00 0.00 C ATOM 0 H LEU B 25 2.088 14.763 1.917 1.00 0.00 H new ATOM 0 HA LEU B 25 2.325 13.725 -0.837 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -0.175 14.451 0.735 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -0.040 13.367 -0.636 1.00 0.00 H new ATOM 0 HG LEU B 25 1.143 12.815 2.113 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -0.700 11.172 2.411 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -1.298 12.842 2.262 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -1.419 11.727 0.880 1.00 0.00 H new ATOM 0 HD21 LEU B 25 1.387 10.481 1.346 1.00 0.00 H new ATOM 0 HD22 LEU B 25 0.827 10.969 -0.272 1.00 0.00 H new ATOM 0 HD23 LEU B 25 2.350 11.623 0.377 1.00 0.00 H new ATOM 2240 N GLY B 26 1.212 16.741 0.047 1.00 0.00 N ATOM 2241 CA GLY B 26 0.787 18.069 -0.421 1.00 0.00 C ATOM 2242 C GLY B 26 -0.729 18.243 -0.348 1.00 0.00 C ATOM 2243 O GLY B 26 -1.314 19.007 -1.126 1.00 0.00 O ATOM 0 H GLY B 26 1.222 16.648 1.063 1.00 0.00 H new ATOM 0 HA2 GLY B 26 1.270 18.838 0.182 1.00 0.00 H new ATOM 0 HA3 GLY B 26 1.120 18.215 -1.449 1.00 0.00 H new ATOM 2247 N VAL B 27 -1.367 17.533 0.609 1.00 0.00 N ATOM 2248 CA VAL B 27 -2.845 17.513 0.782 1.00 0.00 C ATOM 2249 C VAL B 27 -3.223 17.772 2.257 1.00 0.00 C ATOM 2250 O VAL B 27 -2.352 17.983 3.097 1.00 0.00 O ATOM 2251 CB VAL B 27 -3.472 16.139 0.311 1.00 0.00 C ATOM 2252 CG1 VAL B 27 -3.136 15.851 -1.171 1.00 0.00 C ATOM 2253 CG2 VAL B 27 -3.036 14.971 1.230 1.00 0.00 C ATOM 0 H VAL B 27 -0.873 16.954 1.288 1.00 0.00 H new ATOM 0 HA VAL B 27 -3.252 18.308 0.157 1.00 0.00 H new ATOM 0 HB VAL B 27 -4.555 16.226 0.392 1.00 0.00 H new ATOM 0 HG11 VAL B 27 -3.580 14.900 -1.467 1.00 0.00 H new ATOM 0 HG12 VAL B 27 -3.537 16.649 -1.797 1.00 0.00 H new ATOM 0 HG13 VAL B 27 -2.054 15.801 -1.296 1.00 0.00 H new ATOM 0 HG21 VAL B 27 -3.485 14.043 0.877 1.00 0.00 H new ATOM 0 HG22 VAL B 27 -1.950 14.879 1.211 1.00 0.00 H new ATOM 0 HG23 VAL B 27 -3.365 15.168 2.250 1.00 0.00 H new ATOM 2263 N ASP B 28 -4.533 17.768 2.544 1.00 0.00 N ATOM 2264 CA ASP B 28 -5.089 17.827 3.917 1.00 0.00 C ATOM 2265 C ASP B 28 -6.049 16.629 4.106 1.00 0.00 C ATOM 2266 O ASP B 28 -6.557 16.103 3.105 1.00 0.00 O ATOM 2267 CB ASP B 28 -5.845 19.172 4.143 1.00 0.00 C ATOM 2268 CG ASP B 28 -4.958 20.418 4.009 1.00 0.00 C ATOM 2269 OD1 ASP B 28 -4.804 20.935 2.880 1.00 0.00 O ATOM 2270 OD2 ASP B 28 -4.403 20.882 5.026 1.00 0.00 O ATOM 0 H ASP B 28 -5.253 17.723 1.822 1.00 0.00 H new ATOM 0 HA ASP B 28 -4.281 17.774 4.646 1.00 0.00 H new ATOM 0 HB2 ASP B 28 -6.663 19.242 3.426 1.00 0.00 H new ATOM 0 HB3 ASP B 28 -6.293 19.163 5.137 1.00 0.00 H new ATOM 2275 N PRO B 29 -6.316 16.158 5.372 1.00 0.00 N ATOM 2276 CA PRO B 29 -7.251 15.043 5.620 1.00 0.00 C ATOM 2277 C PRO B 29 -8.709 15.434 5.295 1.00 0.00 C ATOM 2278 O PRO B 29 -9.205 16.455 5.784 1.00 0.00 O ATOM 2279 CB PRO B 29 -7.068 14.711 7.134 1.00 0.00 C ATOM 2280 CG PRO B 29 -5.832 15.455 7.554 1.00 0.00 C ATOM 2281 CD PRO B 29 -5.753 16.662 6.649 1.00 0.00 C ATOM 0 HA PRO B 29 -7.042 14.184 4.982 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -7.935 15.028 7.714 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -6.954 13.638 7.291 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -5.892 15.754 8.601 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -4.945 14.830 7.451 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -6.330 17.500 7.042 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -4.727 17.010 6.529 1.00 0.00 H new ATOM 2289 N VAL B 30 -9.368 14.632 4.440 1.00 0.00 N ATOM 2290 CA VAL B 30 -10.798 14.794 4.117 1.00 0.00 C ATOM 2291 C VAL B 30 -11.671 14.367 5.320 1.00 0.00 C ATOM 2292 O VAL B 30 -12.716 14.962 5.583 1.00 0.00 O ATOM 2293 CB VAL B 30 -11.187 13.977 2.825 1.00 0.00 C ATOM 2294 CG1 VAL B 30 -10.990 12.451 3.021 1.00 0.00 C ATOM 2295 CG2 VAL B 30 -12.624 14.321 2.345 1.00 0.00 C ATOM 0 H VAL B 30 -8.925 13.853 3.953 1.00 0.00 H new ATOM 0 HA VAL B 30 -10.983 15.848 3.910 1.00 0.00 H new ATOM 0 HB VAL B 30 -10.502 14.281 2.034 1.00 0.00 H new ATOM 0 HG11 VAL B 30 -11.270 11.928 2.107 1.00 0.00 H new ATOM 0 HG12 VAL B 30 -9.945 12.246 3.251 1.00 0.00 H new ATOM 0 HG13 VAL B 30 -11.617 12.106 3.843 1.00 0.00 H new ATOM 0 HG21 VAL B 30 -12.859 13.740 1.453 1.00 0.00 H new ATOM 0 HG22 VAL B 30 -13.338 14.081 3.133 1.00 0.00 H new ATOM 0 HG23 VAL B 30 -12.685 15.384 2.112 1.00 0.00 H new ATOM 2305 N GLU B 31 -11.184 13.354 6.063 1.00 0.00 N ATOM 2306 CA GLU B 31 -11.831 12.806 7.258 1.00 0.00 C ATOM 2307 C GLU B 31 -10.784 12.795 8.377 1.00 0.00 C ATOM 2308 O GLU B 31 -9.617 12.447 8.140 1.00 0.00 O ATOM 2309 CB GLU B 31 -12.358 11.355 7.017 1.00 0.00 C ATOM 2310 CG GLU B 31 -13.381 11.187 5.869 1.00 0.00 C ATOM 2311 CD GLU B 31 -14.655 12.033 6.047 1.00 0.00 C ATOM 2312 OE1 GLU B 31 -15.376 11.832 7.051 1.00 0.00 O ATOM 2313 OE2 GLU B 31 -14.934 12.914 5.199 1.00 0.00 O ATOM 0 H GLU B 31 -10.306 12.886 5.838 1.00 0.00 H new ATOM 0 HA GLU B 31 -12.692 13.421 7.520 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -11.504 10.709 6.814 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -12.815 10.998 7.940 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -12.904 11.458 4.927 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -13.661 10.136 5.794 1.00 0.00 H new ATOM 2320 N SER B 32 -11.199 13.175 9.587 1.00 0.00 N ATOM 2321 CA SER B 32 -10.310 13.251 10.752 1.00 0.00 C ATOM 2322 C SER B 32 -11.052 12.796 12.019 1.00 0.00 C ATOM 2323 O SER B 32 -12.211 13.164 12.252 1.00 0.00 O ATOM 2324 CB SER B 32 -9.765 14.688 10.903 1.00 0.00 C ATOM 2325 OG SER B 32 -8.886 15.016 9.843 1.00 0.00 O ATOM 0 H SER B 32 -12.163 13.440 9.789 1.00 0.00 H new ATOM 0 HA SER B 32 -9.463 12.580 10.605 1.00 0.00 H new ATOM 0 HB2 SER B 32 -10.595 15.394 10.923 1.00 0.00 H new ATOM 0 HB3 SER B 32 -9.243 14.784 11.855 1.00 0.00 H new ATOM 0 HG SER B 32 -8.557 15.931 9.962 1.00 0.00 H new ATOM 2331 N SER B 33 -10.356 11.985 12.816 1.00 0.00 N ATOM 2332 CA SER B 33 -10.871 11.347 14.042 1.00 0.00 C ATOM 2333 C SER B 33 -9.773 11.436 15.142 1.00 0.00 C ATOM 2334 O SER B 33 -8.603 11.637 14.794 1.00 0.00 O ATOM 2335 CB SER B 33 -11.234 9.871 13.716 1.00 0.00 C ATOM 2336 OG SER B 33 -12.167 9.792 12.643 1.00 0.00 O ATOM 0 H SER B 33 -9.384 11.742 12.625 1.00 0.00 H new ATOM 0 HA SER B 33 -11.767 11.849 14.407 1.00 0.00 H new ATOM 0 HB2 SER B 33 -10.330 9.321 13.456 1.00 0.00 H new ATOM 0 HB3 SER B 33 -11.654 9.393 14.601 1.00 0.00 H new ATOM 0 HG SER B 33 -12.375 8.852 12.459 1.00 0.00 H new ATOM 2342 N PRO B 34 -10.109 11.301 16.479 1.00 0.00 N ATOM 2343 CA PRO B 34 -9.114 11.431 17.590 1.00 0.00 C ATOM 2344 C PRO B 34 -7.867 10.527 17.403 1.00 0.00 C ATOM 2345 O PRO B 34 -6.737 10.960 17.663 1.00 0.00 O ATOM 2346 CB PRO B 34 -9.928 11.034 18.868 1.00 0.00 C ATOM 2347 CG PRO B 34 -11.151 10.337 18.342 1.00 0.00 C ATOM 2348 CD PRO B 34 -11.462 11.013 17.027 1.00 0.00 C ATOM 0 HA PRO B 34 -8.699 12.438 17.641 1.00 0.00 H new ATOM 0 HB2 PRO B 34 -9.348 10.379 19.519 1.00 0.00 H new ATOM 0 HB3 PRO B 34 -10.195 11.912 19.456 1.00 0.00 H new ATOM 0 HG2 PRO B 34 -10.967 9.272 18.203 1.00 0.00 H new ATOM 0 HG3 PRO B 34 -11.985 10.428 19.038 1.00 0.00 H new ATOM 0 HD2 PRO B 34 -12.038 10.366 16.365 1.00 0.00 H new ATOM 0 HD3 PRO B 34 -12.044 11.924 17.168 1.00 0.00 H new ATOM 2356 N THR B 35 -8.081 9.283 16.924 1.00 0.00 N ATOM 2357 CA THR B 35 -6.992 8.296 16.756 1.00 0.00 C ATOM 2358 C THR B 35 -6.966 7.689 15.322 1.00 0.00 C ATOM 2359 O THR B 35 -6.371 6.627 15.090 1.00 0.00 O ATOM 2360 CB THR B 35 -7.102 7.193 17.867 1.00 0.00 C ATOM 2361 OG1 THR B 35 -5.956 6.325 17.852 1.00 0.00 O ATOM 2362 CG2 THR B 35 -8.380 6.361 17.731 1.00 0.00 C ATOM 0 H THR B 35 -9.000 8.938 16.646 1.00 0.00 H new ATOM 0 HA THR B 35 -6.038 8.810 16.876 1.00 0.00 H new ATOM 0 HB THR B 35 -7.140 7.718 18.821 1.00 0.00 H new ATOM 0 HG1 THR B 35 -5.818 5.950 18.747 1.00 0.00 H new ATOM 0 HG21 THR B 35 -8.412 5.611 18.521 1.00 0.00 H new ATOM 0 HG22 THR B 35 -9.249 7.013 17.814 1.00 0.00 H new ATOM 0 HG23 THR B 35 -8.390 5.866 16.760 1.00 0.00 H new ATOM 2370 N PHE B 36 -7.559 8.407 14.348 1.00 0.00 N ATOM 2371 CA PHE B 36 -7.577 7.983 12.926 1.00 0.00 C ATOM 2372 C PHE B 36 -7.597 9.224 12.013 1.00 0.00 C ATOM 2373 O PHE B 36 -8.078 10.281 12.408 1.00 0.00 O ATOM 2374 CB PHE B 36 -8.803 7.064 12.634 1.00 0.00 C ATOM 2375 CG PHE B 36 -8.906 6.563 11.178 1.00 0.00 C ATOM 2376 CD1 PHE B 36 -8.151 5.476 10.746 1.00 0.00 C ATOM 2377 CD2 PHE B 36 -9.750 7.185 10.246 1.00 0.00 C ATOM 2378 CE1 PHE B 36 -8.232 5.024 9.442 1.00 0.00 C ATOM 2379 CE2 PHE B 36 -9.827 6.729 8.943 1.00 0.00 C ATOM 2380 CZ PHE B 36 -9.070 5.650 8.542 1.00 0.00 C ATOM 0 H PHE B 36 -8.037 9.292 14.518 1.00 0.00 H new ATOM 0 HA PHE B 36 -6.674 7.407 12.721 1.00 0.00 H new ATOM 0 HB2 PHE B 36 -8.758 6.201 13.298 1.00 0.00 H new ATOM 0 HB3 PHE B 36 -9.714 7.609 12.881 1.00 0.00 H new ATOM 0 HD1 PHE B 36 -7.491 4.978 11.441 1.00 0.00 H new ATOM 0 HD2 PHE B 36 -10.348 8.031 10.550 1.00 0.00 H new ATOM 0 HE1 PHE B 36 -7.638 4.179 9.127 1.00 0.00 H new ATOM 0 HE2 PHE B 36 -10.482 7.220 8.238 1.00 0.00 H new ATOM 0 HZ PHE B 36 -9.132 5.294 7.524 1.00 0.00 H new ATOM 2390 N SER B 37 -7.074 9.074 10.791 1.00 0.00 N ATOM 2391 CA SER B 37 -7.065 10.133 9.769 1.00 0.00 C ATOM 2392 C SER B 37 -7.253 9.514 8.384 1.00 0.00 C ATOM 2393 O SER B 37 -6.967 8.328 8.184 1.00 0.00 O ATOM 2394 CB SER B 37 -5.742 10.921 9.827 1.00 0.00 C ATOM 2395 OG SER B 37 -5.589 11.575 11.074 1.00 0.00 O ATOM 0 H SER B 37 -6.640 8.206 10.478 1.00 0.00 H new ATOM 0 HA SER B 37 -7.886 10.823 9.965 1.00 0.00 H new ATOM 0 HB2 SER B 37 -4.904 10.243 9.664 1.00 0.00 H new ATOM 0 HB3 SER B 37 -5.718 11.656 9.023 1.00 0.00 H new ATOM 0 HG SER B 37 -4.641 11.772 11.226 1.00 0.00 H new ATOM 2401 N LEU B 38 -7.735 10.322 7.433 1.00 0.00 N ATOM 2402 CA LEU B 38 -7.998 9.867 6.063 1.00 0.00 C ATOM 2403 C LEU B 38 -7.842 11.071 5.123 1.00 0.00 C ATOM 2404 O LEU B 38 -8.481 12.101 5.323 1.00 0.00 O ATOM 2405 CB LEU B 38 -9.417 9.231 5.991 1.00 0.00 C ATOM 2406 CG LEU B 38 -9.646 8.143 4.896 1.00 0.00 C ATOM 2407 CD1 LEU B 38 -11.004 7.446 5.094 1.00 0.00 C ATOM 2408 CD2 LEU B 38 -9.516 8.707 3.463 1.00 0.00 C ATOM 0 H LEU B 38 -7.953 11.306 7.590 1.00 0.00 H new ATOM 0 HA LEU B 38 -7.290 9.098 5.754 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -9.640 8.788 6.962 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -10.140 10.031 5.831 1.00 0.00 H new ATOM 0 HG LEU B 38 -8.855 7.403 5.014 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -11.142 6.692 4.319 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -11.029 6.969 6.074 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -11.804 8.183 5.029 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -9.685 7.908 2.741 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -10.255 9.494 3.313 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -8.516 9.118 3.323 1.00 0.00 H new ATOM 2420 N PHE B 39 -7.004 10.907 4.095 1.00 0.00 N ATOM 2421 CA PHE B 39 -6.766 11.902 3.032 1.00 0.00 C ATOM 2422 C PHE B 39 -6.793 11.185 1.660 1.00 0.00 C ATOM 2423 O PHE B 39 -5.953 10.326 1.372 1.00 0.00 O ATOM 2424 CB PHE B 39 -5.407 12.658 3.283 1.00 0.00 C ATOM 2425 CG PHE B 39 -4.376 11.855 4.110 1.00 0.00 C ATOM 2426 CD1 PHE B 39 -3.575 10.882 3.515 1.00 0.00 C ATOM 2427 CD2 PHE B 39 -4.244 12.054 5.492 1.00 0.00 C ATOM 2428 CE1 PHE B 39 -2.678 10.137 4.267 1.00 0.00 C ATOM 2429 CE2 PHE B 39 -3.343 11.310 6.238 1.00 0.00 C ATOM 2430 CZ PHE B 39 -2.563 10.351 5.624 1.00 0.00 C ATOM 0 H PHE B 39 -6.455 10.057 3.971 1.00 0.00 H new ATOM 0 HA PHE B 39 -7.552 12.657 3.039 1.00 0.00 H new ATOM 0 HB2 PHE B 39 -4.964 12.914 2.321 1.00 0.00 H new ATOM 0 HB3 PHE B 39 -5.616 13.596 3.797 1.00 0.00 H new ATOM 0 HD1 PHE B 39 -3.654 10.705 2.452 1.00 0.00 H new ATOM 0 HD2 PHE B 39 -4.854 12.798 5.983 1.00 0.00 H new ATOM 0 HE1 PHE B 39 -2.067 9.386 3.787 1.00 0.00 H new ATOM 0 HE2 PHE B 39 -3.251 11.481 7.300 1.00 0.00 H new ATOM 0 HZ PHE B 39 -1.864 9.769 6.206 1.00 0.00 H new ATOM 2440 N VAL B 40 -7.809 11.517 0.847 1.00 0.00 N ATOM 2441 CA VAL B 40 -7.947 11.019 -0.532 1.00 0.00 C ATOM 2442 C VAL B 40 -7.294 12.026 -1.508 1.00 0.00 C ATOM 2443 O VAL B 40 -7.542 13.236 -1.405 1.00 0.00 O ATOM 2444 CB VAL B 40 -9.466 10.829 -0.942 1.00 0.00 C ATOM 2445 CG1 VAL B 40 -9.605 10.004 -2.243 1.00 0.00 C ATOM 2446 CG2 VAL B 40 -10.311 10.226 0.200 1.00 0.00 C ATOM 0 H VAL B 40 -8.563 12.143 1.130 1.00 0.00 H new ATOM 0 HA VAL B 40 -7.453 10.049 -0.584 1.00 0.00 H new ATOM 0 HB VAL B 40 -9.864 11.825 -1.137 1.00 0.00 H new ATOM 0 HG11 VAL B 40 -10.660 9.894 -2.493 1.00 0.00 H new ATOM 0 HG12 VAL B 40 -9.091 10.517 -3.056 1.00 0.00 H new ATOM 0 HG13 VAL B 40 -9.162 9.019 -2.098 1.00 0.00 H new ATOM 0 HG21 VAL B 40 -11.344 10.116 -0.131 1.00 0.00 H new ATOM 0 HG22 VAL B 40 -9.911 9.249 0.472 1.00 0.00 H new ATOM 0 HG23 VAL B 40 -10.276 10.887 1.066 1.00 0.00 H new ATOM 2456 N LEU B 41 -6.463 11.525 -2.435 1.00 0.00 N ATOM 2457 CA LEU B 41 -5.629 12.375 -3.306 1.00 0.00 C ATOM 2458 C LEU B 41 -6.395 12.739 -4.584 1.00 0.00 C ATOM 2459 O LEU B 41 -7.220 11.951 -5.063 1.00 0.00 O ATOM 2460 CB LEU B 41 -4.296 11.665 -3.676 1.00 0.00 C ATOM 2461 CG LEU B 41 -3.401 11.162 -2.496 1.00 0.00 C ATOM 2462 CD1 LEU B 41 -2.044 10.669 -3.018 1.00 0.00 C ATOM 2463 CD2 LEU B 41 -3.213 12.230 -1.404 1.00 0.00 C ATOM 0 H LEU B 41 -6.349 10.525 -2.603 1.00 0.00 H new ATOM 0 HA LEU B 41 -5.392 13.285 -2.756 1.00 0.00 H new ATOM 0 HB2 LEU B 41 -4.533 10.809 -4.308 1.00 0.00 H new ATOM 0 HB3 LEU B 41 -3.704 12.353 -4.280 1.00 0.00 H new ATOM 0 HG LEU B 41 -3.924 10.325 -2.032 1.00 0.00 H new ATOM 0 HD11 LEU B 41 -1.436 10.323 -2.182 1.00 0.00 H new ATOM 0 HD12 LEU B 41 -2.200 9.848 -3.717 1.00 0.00 H new ATOM 0 HD13 LEU B 41 -1.531 11.486 -3.526 1.00 0.00 H new ATOM 0 HD21 LEU B 41 -2.584 11.830 -0.608 1.00 0.00 H new ATOM 0 HD22 LEU B 41 -2.737 13.111 -1.835 1.00 0.00 H new ATOM 0 HD23 LEU B 41 -4.185 12.506 -0.994 1.00 0.00 H new ATOM 2475 N ALA B 42 -6.087 13.925 -5.145 1.00 0.00 N ATOM 2476 CA ALA B 42 -6.677 14.408 -6.414 1.00 0.00 C ATOM 2477 C ALA B 42 -6.124 13.629 -7.633 1.00 0.00 C ATOM 2478 O ALA B 42 -6.613 13.795 -8.754 1.00 0.00 O ATOM 2479 CB ALA B 42 -6.448 15.925 -6.561 1.00 0.00 C ATOM 0 H ALA B 42 -5.421 14.578 -4.732 1.00 0.00 H new ATOM 0 HA ALA B 42 -7.751 14.224 -6.384 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -6.886 16.270 -7.498 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -6.918 16.446 -5.727 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -5.378 16.133 -6.562 1.00 0.00 H new ATOM 2485 N ASN B 43 -5.100 12.777 -7.391 1.00 0.00 N ATOM 2486 CA ASN B 43 -4.580 11.817 -8.389 1.00 0.00 C ATOM 2487 C ASN B 43 -5.595 10.658 -8.606 1.00 0.00 C ATOM 2488 O ASN B 43 -5.511 9.924 -9.598 1.00 0.00 O ATOM 2489 CB ASN B 43 -3.196 11.271 -7.925 1.00 0.00 C ATOM 2490 CG ASN B 43 -2.457 10.479 -9.007 1.00 0.00 C ATOM 2491 OD1 ASN B 43 -2.795 9.215 -9.164 1.00 0.00 O flip ATOM 2492 ND2 ASN B 43 -1.600 11.008 -9.714 1.00 0.00 N flip ATOM 0 H ASN B 43 -4.612 12.737 -6.496 1.00 0.00 H new ATOM 0 HA ASN B 43 -4.447 12.328 -9.343 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -2.572 12.107 -7.608 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -3.340 10.633 -7.053 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -1.356 11.988 -9.573 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -1.134 10.466 -10.442 1.00 0.00 H new ATOM 2499 N GLY B 44 -6.549 10.516 -7.659 1.00 0.00 N ATOM 2500 CA GLY B 44 -7.663 9.569 -7.770 1.00 0.00 C ATOM 2501 C GLY B 44 -7.557 8.378 -6.825 1.00 0.00 C ATOM 2502 O GLY B 44 -8.527 7.629 -6.671 1.00 0.00 O ATOM 0 H GLY B 44 -6.561 11.060 -6.796 1.00 0.00 H new ATOM 0 HA2 GLY B 44 -8.596 10.096 -7.571 1.00 0.00 H new ATOM 0 HA3 GLY B 44 -7.715 9.203 -8.795 1.00 0.00 H new ATOM 2506 N MET B 45 -6.379 8.188 -6.200 1.00 0.00 N ATOM 2507 CA MET B 45 -6.158 7.111 -5.206 1.00 0.00 C ATOM 2508 C MET B 45 -6.578 7.596 -3.801 1.00 0.00 C ATOM 2509 O MET B 45 -6.832 8.792 -3.605 1.00 0.00 O ATOM 2510 CB MET B 45 -4.669 6.669 -5.248 1.00 0.00 C ATOM 2511 CG MET B 45 -3.661 7.699 -4.705 1.00 0.00 C ATOM 2512 SD MET B 45 -3.549 7.709 -2.898 1.00 0.00 S ATOM 2513 CE MET B 45 -2.770 6.129 -2.562 1.00 0.00 C ATOM 0 H MET B 45 -5.558 8.770 -6.366 1.00 0.00 H new ATOM 0 HA MET B 45 -6.773 6.245 -5.449 1.00 0.00 H new ATOM 0 HB2 MET B 45 -4.565 5.747 -4.676 1.00 0.00 H new ATOM 0 HB3 MET B 45 -4.405 6.436 -6.280 1.00 0.00 H new ATOM 0 HG2 MET B 45 -2.676 7.488 -5.122 1.00 0.00 H new ATOM 0 HG3 MET B 45 -3.946 8.693 -5.050 1.00 0.00 H new ATOM 0 HE1 MET B 45 -2.340 6.141 -1.561 1.00 0.00 H new ATOM 0 HE2 MET B 45 -3.514 5.335 -2.627 1.00 0.00 H new ATOM 0 HE3 MET B 45 -1.982 5.949 -3.293 1.00 0.00 H new ATOM 2523 N LYS B 46 -6.631 6.673 -2.828 1.00 0.00 N ATOM 2524 CA LYS B 46 -7.107 6.972 -1.461 1.00 0.00 C ATOM 2525 C LYS B 46 -6.117 6.425 -0.409 1.00 0.00 C ATOM 2526 O LYS B 46 -5.630 5.296 -0.546 1.00 0.00 O ATOM 2527 CB LYS B 46 -8.525 6.369 -1.299 1.00 0.00 C ATOM 2528 CG LYS B 46 -9.220 6.650 0.037 1.00 0.00 C ATOM 2529 CD LYS B 46 -10.686 6.161 0.045 1.00 0.00 C ATOM 2530 CE LYS B 46 -11.390 6.432 1.375 1.00 0.00 C ATOM 2531 NZ LYS B 46 -12.821 6.060 1.346 1.00 0.00 N ATOM 0 H LYS B 46 -6.348 5.702 -2.962 1.00 0.00 H new ATOM 0 HA LYS B 46 -7.161 8.049 -1.302 1.00 0.00 H new ATOM 0 HB2 LYS B 46 -9.155 6.750 -2.102 1.00 0.00 H new ATOM 0 HB3 LYS B 46 -8.458 5.289 -1.432 1.00 0.00 H new ATOM 0 HG2 LYS B 46 -8.671 6.160 0.841 1.00 0.00 H new ATOM 0 HG3 LYS B 46 -9.194 7.721 0.240 1.00 0.00 H new ATOM 0 HD2 LYS B 46 -11.234 6.654 -0.758 1.00 0.00 H new ATOM 0 HD3 LYS B 46 -10.709 5.091 -0.163 1.00 0.00 H new ATOM 0 HE2 LYS B 46 -10.889 5.875 2.167 1.00 0.00 H new ATOM 0 HE3 LYS B 46 -11.298 7.490 1.622 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 -13.345 6.642 2.031 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 -13.202 6.221 0.392 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 -12.924 5.056 1.595 1.00 0.00 H new ATOM 2545 N LEU B 47 -5.838 7.229 0.644 1.00 0.00 N ATOM 2546 CA LEU B 47 -4.777 6.922 1.636 1.00 0.00 C ATOM 2547 C LEU B 47 -5.296 7.181 3.081 1.00 0.00 C ATOM 2548 O LEU B 47 -5.890 8.226 3.357 1.00 0.00 O ATOM 2549 CB LEU B 47 -3.503 7.785 1.315 1.00 0.00 C ATOM 2550 CG LEU B 47 -2.098 7.108 1.493 1.00 0.00 C ATOM 2551 CD1 LEU B 47 -0.983 8.088 1.078 1.00 0.00 C ATOM 2552 CD2 LEU B 47 -1.862 6.568 2.925 1.00 0.00 C ATOM 0 H LEU B 47 -6.335 8.100 0.830 1.00 0.00 H new ATOM 0 HA LEU B 47 -4.506 5.868 1.572 1.00 0.00 H new ATOM 0 HB2 LEU B 47 -3.582 8.128 0.283 1.00 0.00 H new ATOM 0 HB3 LEU B 47 -3.530 8.672 1.948 1.00 0.00 H new ATOM 0 HG LEU B 47 -2.075 6.238 0.837 1.00 0.00 H new ATOM 0 HD11 LEU B 47 -0.012 7.609 1.205 1.00 0.00 H new ATOM 0 HD12 LEU B 47 -1.115 8.368 0.033 1.00 0.00 H new ATOM 0 HD13 LEU B 47 -1.032 8.980 1.702 1.00 0.00 H new ATOM 0 HD21 LEU B 47 -0.874 6.112 2.984 1.00 0.00 H new ATOM 0 HD22 LEU B 47 -1.926 7.389 3.639 1.00 0.00 H new ATOM 0 HD23 LEU B 47 -2.620 5.822 3.162 1.00 0.00 H new ATOM 2564 N GLY B 48 -5.079 6.197 3.979 1.00 0.00 N ATOM 2565 CA GLY B 48 -5.466 6.286 5.394 1.00 0.00 C ATOM 2566 C GLY B 48 -4.266 6.447 6.307 1.00 0.00 C ATOM 2567 O GLY B 48 -3.123 6.191 5.909 1.00 0.00 O ATOM 0 H GLY B 48 -4.627 5.315 3.736 1.00 0.00 H new ATOM 0 HA2 GLY B 48 -6.141 7.131 5.532 1.00 0.00 H new ATOM 0 HA3 GLY B 48 -6.017 5.388 5.675 1.00 0.00 H new ATOM 2571 N LEU B 49 -4.556 6.793 7.571 1.00 0.00 N ATOM 2572 CA LEU B 49 -3.588 6.751 8.671 1.00 0.00 C ATOM 2573 C LEU B 49 -4.324 6.201 9.896 1.00 0.00 C ATOM 2574 O LEU B 49 -5.151 6.892 10.494 1.00 0.00 O ATOM 2575 CB LEU B 49 -2.959 8.156 8.945 1.00 0.00 C ATOM 2576 CG LEU B 49 -1.419 8.163 9.157 1.00 0.00 C ATOM 2577 CD1 LEU B 49 -0.686 7.585 7.923 1.00 0.00 C ATOM 2578 CD2 LEU B 49 -0.909 9.574 9.504 1.00 0.00 C ATOM 0 H LEU B 49 -5.481 7.113 7.858 1.00 0.00 H new ATOM 0 HA LEU B 49 -2.748 6.105 8.415 1.00 0.00 H new ATOM 0 HB2 LEU B 49 -3.197 8.812 8.108 1.00 0.00 H new ATOM 0 HB3 LEU B 49 -3.433 8.582 9.829 1.00 0.00 H new ATOM 0 HG LEU B 49 -1.196 7.518 10.007 1.00 0.00 H new ATOM 0 HD11 LEU B 49 0.390 7.602 8.098 1.00 0.00 H new ATOM 0 HD12 LEU B 49 -1.010 6.558 7.755 1.00 0.00 H new ATOM 0 HD13 LEU B 49 -0.920 8.188 7.045 1.00 0.00 H new ATOM 0 HD21 LEU B 49 0.171 9.546 9.646 1.00 0.00 H new ATOM 0 HD22 LEU B 49 -1.150 10.258 8.691 1.00 0.00 H new ATOM 0 HD23 LEU B 49 -1.387 9.918 10.421 1.00 0.00 H new ATOM 2590 N TRP B 50 -4.033 4.948 10.233 1.00 0.00 N ATOM 2591 CA TRP B 50 -4.680 4.230 11.334 1.00 0.00 C ATOM 2592 C TRP B 50 -3.656 4.055 12.459 1.00 0.00 C ATOM 2593 O TRP B 50 -2.542 3.604 12.200 1.00 0.00 O ATOM 2594 CB TRP B 50 -5.171 2.854 10.812 1.00 0.00 C ATOM 2595 CG TRP B 50 -6.267 2.202 11.612 1.00 0.00 C ATOM 2596 CD1 TRP B 50 -6.339 2.041 12.963 1.00 0.00 C ATOM 2597 CD2 TRP B 50 -7.448 1.598 11.078 1.00 0.00 C ATOM 2598 NE1 TRP B 50 -7.484 1.373 13.294 1.00 0.00 N ATOM 2599 CE2 TRP B 50 -8.175 1.088 12.154 1.00 0.00 C ATOM 2600 CE3 TRP B 50 -7.946 1.446 9.787 1.00 0.00 C ATOM 2601 CZ2 TRP B 50 -9.372 0.425 11.983 1.00 0.00 C ATOM 2602 CZ3 TRP B 50 -9.143 0.795 9.613 1.00 0.00 C ATOM 2603 CH2 TRP B 50 -9.847 0.289 10.708 1.00 0.00 C ATOM 0 H TRP B 50 -3.331 4.392 9.744 1.00 0.00 H new ATOM 0 HA TRP B 50 -5.538 4.783 11.716 1.00 0.00 H new ATOM 0 HB2 TRP B 50 -5.521 2.979 9.787 1.00 0.00 H new ATOM 0 HB3 TRP B 50 -4.319 2.175 10.777 1.00 0.00 H new ATOM 0 HD1 TRP B 50 -5.600 2.390 13.669 1.00 0.00 H new ATOM 0 HE1 TRP B 50 -7.775 1.127 14.240 1.00 0.00 H new ATOM 0 HE3 TRP B 50 -7.402 1.833 8.938 1.00 0.00 H new ATOM 0 HZ2 TRP B 50 -9.916 0.027 12.827 1.00 0.00 H new ATOM 0 HZ3 TRP B 50 -9.544 0.673 8.618 1.00 0.00 H new ATOM 0 HH2 TRP B 50 -10.785 -0.220 10.544 1.00 0.00 H new ATOM 2614 N SER B 51 -4.022 4.424 13.695 1.00 0.00 N ATOM 2615 CA SER B 51 -3.142 4.230 14.851 1.00 0.00 C ATOM 2616 C SER B 51 -3.062 2.734 15.223 1.00 0.00 C ATOM 2617 O SER B 51 -4.096 2.071 15.358 1.00 0.00 O ATOM 2618 CB SER B 51 -3.606 5.086 16.037 1.00 0.00 C ATOM 2619 OG SER B 51 -3.570 6.467 15.708 1.00 0.00 O ATOM 0 H SER B 51 -4.919 4.857 13.917 1.00 0.00 H new ATOM 0 HA SER B 51 -2.138 4.559 14.585 1.00 0.00 H new ATOM 0 HB2 SER B 51 -4.619 4.802 16.322 1.00 0.00 H new ATOM 0 HB3 SER B 51 -2.967 4.896 16.900 1.00 0.00 H new ATOM 0 HG SER B 51 -4.467 6.765 15.448 1.00 0.00 H new ATOM 2625 N ARG B 52 -1.837 2.212 15.381 1.00 0.00 N ATOM 2626 CA ARG B 52 -1.580 0.764 15.538 1.00 0.00 C ATOM 2627 C ARG B 52 -2.132 0.189 16.869 1.00 0.00 C ATOM 2628 O ARG B 52 -2.291 -1.026 16.994 1.00 0.00 O ATOM 2629 CB ARG B 52 -0.061 0.485 15.431 1.00 0.00 C ATOM 2630 CG ARG B 52 0.772 1.168 16.541 1.00 0.00 C ATOM 2631 CD ARG B 52 2.243 0.759 16.537 1.00 0.00 C ATOM 2632 NE ARG B 52 2.946 1.334 17.692 1.00 0.00 N ATOM 2633 CZ ARG B 52 4.148 0.967 18.128 1.00 0.00 C ATOM 2634 NH1 ARG B 52 4.823 -0.001 17.525 1.00 0.00 N ATOM 2635 NH2 ARG B 52 4.665 1.575 19.176 1.00 0.00 N ATOM 0 H ARG B 52 -0.990 2.780 15.404 1.00 0.00 H new ATOM 0 HA ARG B 52 -2.113 0.259 14.732 1.00 0.00 H new ATOM 0 HB2 ARG B 52 0.106 -0.591 15.473 1.00 0.00 H new ATOM 0 HB3 ARG B 52 0.295 0.826 14.459 1.00 0.00 H new ATOM 0 HG2 ARG B 52 0.703 2.249 16.422 1.00 0.00 H new ATOM 0 HG3 ARG B 52 0.338 0.926 17.511 1.00 0.00 H new ATOM 0 HD2 ARG B 52 2.323 -0.328 16.560 1.00 0.00 H new ATOM 0 HD3 ARG B 52 2.716 1.094 15.614 1.00 0.00 H new ATOM 0 HE ARG B 52 2.472 2.078 18.203 1.00 0.00 H new ATOM 0 HH11 ARG B 52 4.422 -0.475 16.716 1.00 0.00 H new ATOM 0 HH12 ARG B 52 5.744 -0.272 17.870 1.00 0.00 H new ATOM 0 HH21 ARG B 52 4.145 2.318 19.643 1.00 0.00 H new ATOM 0 HH22 ARG B 52 5.586 1.303 19.520 1.00 0.00 H new ATOM 2649 N HIS B 53 -2.403 1.070 17.861 1.00 0.00 N ATOM 2650 CA HIS B 53 -2.981 0.656 19.164 1.00 0.00 C ATOM 2651 C HIS B 53 -4.491 0.350 19.017 1.00 0.00 C ATOM 2652 O HIS B 53 -5.063 -0.379 19.829 1.00 0.00 O ATOM 2653 CB HIS B 53 -2.751 1.741 20.268 1.00 0.00 C ATOM 2654 CG HIS B 53 -3.732 2.897 20.262 1.00 0.00 C ATOM 2655 ND1 HIS B 53 -4.814 2.966 21.117 1.00 0.00 N ATOM 2656 CD2 HIS B 53 -3.795 4.019 19.507 1.00 0.00 C ATOM 2657 CE1 HIS B 53 -5.491 4.075 20.885 1.00 0.00 C ATOM 2658 NE2 HIS B 53 -4.893 4.730 19.917 1.00 0.00 N ATOM 0 H HIS B 53 -2.231 2.072 17.785 1.00 0.00 H new ATOM 0 HA HIS B 53 -2.466 -0.252 19.477 1.00 0.00 H new ATOM 0 HB2 HIS B 53 -2.793 1.256 21.243 1.00 0.00 H new ATOM 0 HB3 HIS B 53 -1.744 2.142 20.155 1.00 0.00 H new ATOM 0 HD1 HIS B 53 -5.053 2.267 21.820 1.00 0.00 H new ATOM 0 HD2 HIS B 53 -3.106 4.302 18.725 1.00 0.00 H new ATOM 0 HE1 HIS B 53 -6.385 4.390 21.403 1.00 0.00 H new ATOM 2667 N THR B 54 -5.128 0.948 17.985 1.00 0.00 N ATOM 2668 CA THR B 54 -6.579 0.815 17.734 1.00 0.00 C ATOM 2669 C THR B 54 -6.852 0.088 16.394 1.00 0.00 C ATOM 2670 O THR B 54 -8.011 -0.017 15.966 1.00 0.00 O ATOM 2671 CB THR B 54 -7.273 2.233 17.769 1.00 0.00 C ATOM 2672 OG1 THR B 54 -8.711 2.110 17.767 1.00 0.00 O ATOM 2673 CG2 THR B 54 -6.837 3.126 16.593 1.00 0.00 C ATOM 0 H THR B 54 -4.649 1.536 17.303 1.00 0.00 H new ATOM 0 HA THR B 54 -7.010 0.204 18.527 1.00 0.00 H new ATOM 0 HB THR B 54 -6.951 2.708 18.696 1.00 0.00 H new ATOM 0 HG1 THR B 54 -8.979 1.417 17.129 1.00 0.00 H new ATOM 0 HG21 THR B 54 -7.341 4.090 16.662 1.00 0.00 H new ATOM 0 HG22 THR B 54 -5.758 3.277 16.632 1.00 0.00 H new ATOM 0 HG23 THR B 54 -7.102 2.644 15.652 1.00 0.00 H new ATOM 2681 N VAL B 55 -5.793 -0.430 15.732 1.00 0.00 N ATOM 2682 CA VAL B 55 -5.943 -1.218 14.485 1.00 0.00 C ATOM 2683 C VAL B 55 -6.541 -2.606 14.806 1.00 0.00 C ATOM 2684 O VAL B 55 -6.425 -3.085 15.939 1.00 0.00 O ATOM 2685 CB VAL B 55 -4.585 -1.335 13.680 1.00 0.00 C ATOM 2686 CG1 VAL B 55 -3.585 -2.305 14.344 1.00 0.00 C ATOM 2687 CG2 VAL B 55 -4.840 -1.703 12.196 1.00 0.00 C ATOM 0 H VAL B 55 -4.827 -0.318 16.039 1.00 0.00 H new ATOM 0 HA VAL B 55 -6.634 -0.685 13.832 1.00 0.00 H new ATOM 0 HB VAL B 55 -4.119 -0.350 13.703 1.00 0.00 H new ATOM 0 HG11 VAL B 55 -2.671 -2.348 13.751 1.00 0.00 H new ATOM 0 HG12 VAL B 55 -3.350 -1.954 15.349 1.00 0.00 H new ATOM 0 HG13 VAL B 55 -4.027 -3.300 14.402 1.00 0.00 H new ATOM 0 HG21 VAL B 55 -3.888 -1.776 11.670 1.00 0.00 H new ATOM 0 HG22 VAL B 55 -5.358 -2.660 12.142 1.00 0.00 H new ATOM 0 HG23 VAL B 55 -5.454 -0.932 11.730 1.00 0.00 H new ATOM 2697 N GLU B 56 -7.255 -3.209 13.838 1.00 0.00 N ATOM 2698 CA GLU B 56 -7.927 -4.512 14.027 1.00 0.00 C ATOM 2699 C GLU B 56 -7.595 -5.481 12.860 1.00 0.00 C ATOM 2700 O GLU B 56 -7.932 -5.188 11.723 1.00 0.00 O ATOM 2701 CB GLU B 56 -9.458 -4.307 14.209 1.00 0.00 C ATOM 2702 CG GLU B 56 -9.847 -3.872 15.641 1.00 0.00 C ATOM 2703 CD GLU B 56 -11.346 -3.946 15.948 1.00 0.00 C ATOM 2704 OE1 GLU B 56 -12.001 -4.932 15.539 1.00 0.00 O ATOM 2705 OE2 GLU B 56 -11.869 -3.041 16.638 1.00 0.00 O ATOM 0 H GLU B 56 -7.383 -2.811 12.907 1.00 0.00 H new ATOM 0 HA GLU B 56 -7.550 -4.977 14.938 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -9.804 -3.554 13.501 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -9.974 -5.236 13.965 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -9.313 -4.499 16.354 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -9.508 -2.848 15.800 1.00 0.00 H new ATOM 2712 N PRO B 57 -6.897 -6.652 13.113 1.00 0.00 N ATOM 2713 CA PRO B 57 -6.424 -7.096 14.447 1.00 0.00 C ATOM 2714 C PRO B 57 -5.219 -6.257 14.915 1.00 0.00 C ATOM 2715 O PRO B 57 -4.357 -5.898 14.097 1.00 0.00 O ATOM 2716 CB PRO B 57 -6.037 -8.598 14.239 1.00 0.00 C ATOM 2717 CG PRO B 57 -6.453 -8.927 12.830 1.00 0.00 C ATOM 2718 CD PRO B 57 -6.481 -7.620 12.084 1.00 0.00 C ATOM 0 HA PRO B 57 -7.180 -6.972 15.222 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -4.967 -8.751 14.378 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -6.547 -9.238 14.959 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -5.752 -9.623 12.370 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -7.433 -9.405 12.815 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -5.504 -7.372 11.670 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -7.183 -7.647 11.250 1.00 0.00 H new ATOM 2726 N LYS B 58 -5.198 -5.931 16.218 1.00 0.00 N ATOM 2727 CA LYS B 58 -4.176 -5.059 16.810 1.00 0.00 C ATOM 2728 C LYS B 58 -2.777 -5.678 16.623 1.00 0.00 C ATOM 2729 O LYS B 58 -2.450 -6.711 17.211 1.00 0.00 O ATOM 2730 CB LYS B 58 -4.510 -4.772 18.310 1.00 0.00 C ATOM 2731 CG LYS B 58 -3.898 -3.470 18.903 1.00 0.00 C ATOM 2732 CD LYS B 58 -2.366 -3.511 19.136 1.00 0.00 C ATOM 2733 CE LYS B 58 -1.932 -4.619 20.112 1.00 0.00 C ATOM 2734 NZ LYS B 58 -2.619 -4.486 21.424 1.00 0.00 N ATOM 0 H LYS B 58 -5.890 -6.266 16.889 1.00 0.00 H new ATOM 0 HA LYS B 58 -4.174 -4.098 16.295 1.00 0.00 H new ATOM 0 HB2 LYS B 58 -5.594 -4.724 18.419 1.00 0.00 H new ATOM 0 HB3 LYS B 58 -4.167 -5.617 18.907 1.00 0.00 H new ATOM 0 HG2 LYS B 58 -4.126 -2.642 18.232 1.00 0.00 H new ATOM 0 HG3 LYS B 58 -4.389 -3.256 19.852 1.00 0.00 H new ATOM 0 HD2 LYS B 58 -1.863 -3.660 18.180 1.00 0.00 H new ATOM 0 HD3 LYS B 58 -2.038 -2.546 19.522 1.00 0.00 H new ATOM 0 HE2 LYS B 58 -2.155 -5.594 19.680 1.00 0.00 H new ATOM 0 HE3 LYS B 58 -0.853 -4.575 20.259 1.00 0.00 H new ATOM 0 HZ1 LYS B 58 -2.220 -5.172 22.096 1.00 0.00 H new ATOM 0 HZ2 LYS B 58 -2.483 -3.522 21.791 1.00 0.00 H new ATOM 0 HZ3 LYS B 58 -3.635 -4.671 21.304 1.00 0.00 H new ATOM 2748 N ALA B 59 -1.991 -5.031 15.760 1.00 0.00 N ATOM 2749 CA ALA B 59 -0.622 -5.412 15.440 1.00 0.00 C ATOM 2750 C ALA B 59 0.324 -4.389 16.073 1.00 0.00 C ATOM 2751 O ALA B 59 0.375 -3.227 15.643 1.00 0.00 O ATOM 2752 CB ALA B 59 -0.456 -5.460 13.906 1.00 0.00 C ATOM 0 H ALA B 59 -2.303 -4.203 15.252 1.00 0.00 H new ATOM 0 HA ALA B 59 -0.387 -6.400 15.836 1.00 0.00 H new ATOM 0 HB1 ALA B 59 0.567 -5.745 13.659 1.00 0.00 H new ATOM 0 HB2 ALA B 59 -1.147 -6.192 13.488 1.00 0.00 H new ATOM 0 HB3 ALA B 59 -0.670 -4.477 13.486 1.00 0.00 H new ATOM 2758 N SER B 60 1.038 -4.819 17.125 1.00 0.00 N ATOM 2759 CA SER B 60 2.070 -4.005 17.762 1.00 0.00 C ATOM 2760 C SER B 60 3.359 -4.130 16.931 1.00 0.00 C ATOM 2761 O SER B 60 4.213 -4.981 17.199 1.00 0.00 O ATOM 2762 CB SER B 60 2.259 -4.469 19.234 1.00 0.00 C ATOM 2763 OG SER B 60 2.476 -5.877 19.323 1.00 0.00 O ATOM 0 H SER B 60 0.913 -5.737 17.552 1.00 0.00 H new ATOM 0 HA SER B 60 1.786 -2.953 17.795 1.00 0.00 H new ATOM 0 HB2 SER B 60 3.105 -3.942 19.675 1.00 0.00 H new ATOM 0 HB3 SER B 60 1.378 -4.200 19.816 1.00 0.00 H new ATOM 0 HG SER B 60 3.161 -6.144 18.675 1.00 0.00 H new ATOM 2769 N VAL B 61 3.457 -3.286 15.884 1.00 0.00 N ATOM 2770 CA VAL B 61 4.541 -3.341 14.880 1.00 0.00 C ATOM 2771 C VAL B 61 4.960 -1.900 14.501 1.00 0.00 C ATOM 2772 O VAL B 61 4.114 -1.006 14.476 1.00 0.00 O ATOM 2773 CB VAL B 61 4.098 -4.143 13.572 1.00 0.00 C ATOM 2774 CG1 VAL B 61 3.723 -5.619 13.884 1.00 0.00 C ATOM 2775 CG2 VAL B 61 2.934 -3.433 12.825 1.00 0.00 C ATOM 0 H VAL B 61 2.782 -2.542 15.709 1.00 0.00 H new ATOM 0 HA VAL B 61 5.385 -3.873 15.319 1.00 0.00 H new ATOM 0 HB VAL B 61 4.967 -4.154 12.914 1.00 0.00 H new ATOM 0 HG11 VAL B 61 3.429 -6.122 12.963 1.00 0.00 H new ATOM 0 HG12 VAL B 61 4.583 -6.129 14.317 1.00 0.00 H new ATOM 0 HG13 VAL B 61 2.894 -5.642 14.591 1.00 0.00 H new ATOM 0 HG21 VAL B 61 2.663 -4.011 11.941 1.00 0.00 H new ATOM 0 HG22 VAL B 61 2.071 -3.355 13.486 1.00 0.00 H new ATOM 0 HG23 VAL B 61 3.251 -2.435 12.523 1.00 0.00 H new ATOM 2785 N THR B 62 6.274 -1.696 14.269 1.00 0.00 N ATOM 2786 CA THR B 62 6.868 -0.445 13.718 1.00 0.00 C ATOM 2787 C THR B 62 8.280 -0.755 13.196 1.00 0.00 C ATOM 2788 O THR B 62 9.015 -1.538 13.816 1.00 0.00 O ATOM 2789 CB THR B 62 6.950 0.748 14.761 1.00 0.00 C ATOM 2790 OG1 THR B 62 7.181 0.233 16.084 1.00 0.00 O ATOM 2791 CG2 THR B 62 5.697 1.654 14.739 1.00 0.00 C ATOM 0 H THR B 62 6.975 -2.411 14.463 1.00 0.00 H new ATOM 0 HA THR B 62 6.205 -0.110 12.921 1.00 0.00 H new ATOM 0 HB THR B 62 7.790 1.376 14.464 1.00 0.00 H new ATOM 0 HG1 THR B 62 7.232 0.977 16.720 1.00 0.00 H new ATOM 0 HG21 THR B 62 5.812 2.451 15.473 1.00 0.00 H new ATOM 0 HG22 THR B 62 5.580 2.089 13.746 1.00 0.00 H new ATOM 0 HG23 THR B 62 4.815 1.061 14.982 1.00 0.00 H new ATOM 2799 N GLY B 63 8.649 -0.141 12.060 1.00 0.00 N ATOM 2800 CA GLY B 63 9.989 -0.299 11.487 1.00 0.00 C ATOM 2801 C GLY B 63 10.024 -0.027 9.994 1.00 0.00 C ATOM 2802 O GLY B 63 10.993 0.550 9.482 1.00 0.00 O ATOM 0 H GLY B 63 8.034 0.470 11.522 1.00 0.00 H new ATOM 0 HA2 GLY B 63 10.678 0.379 11.992 1.00 0.00 H new ATOM 0 HA3 GLY B 63 10.343 -1.312 11.676 1.00 0.00 H new ATOM 2806 N GLY B 64 8.965 -0.458 9.300 1.00 0.00 N ATOM 2807 CA GLY B 64 8.852 -0.275 7.859 1.00 0.00 C ATOM 2808 C GLY B 64 7.506 -0.758 7.344 1.00 0.00 C ATOM 2809 O GLY B 64 6.592 0.047 7.121 1.00 0.00 O ATOM 0 H GLY B 64 8.171 -0.939 9.722 1.00 0.00 H new ATOM 0 HA2 GLY B 64 8.981 0.779 7.613 1.00 0.00 H new ATOM 0 HA3 GLY B 64 9.652 -0.819 7.357 1.00 0.00 H new ATOM 2813 N GLY B 65 7.373 -2.091 7.215 1.00 0.00 N ATOM 2814 CA GLY B 65 6.165 -2.711 6.669 1.00 0.00 C ATOM 2815 C GLY B 65 6.123 -2.598 5.150 1.00 0.00 C ATOM 2816 O GLY B 65 7.145 -2.823 4.492 1.00 0.00 O ATOM 0 H GLY B 65 8.096 -2.758 7.485 1.00 0.00 H new ATOM 0 HA2 GLY B 65 6.130 -3.761 6.959 1.00 0.00 H new ATOM 0 HA3 GLY B 65 5.283 -2.233 7.096 1.00 0.00 H new ATOM 2820 N GLY B 66 4.941 -2.264 4.600 1.00 0.00 N ATOM 2821 CA GLY B 66 4.784 -2.037 3.159 1.00 0.00 C ATOM 2822 C GLY B 66 5.350 -0.688 2.726 1.00 0.00 C ATOM 2823 O GLY B 66 5.628 0.175 3.576 1.00 0.00 O ATOM 0 H GLY B 66 4.082 -2.146 5.136 1.00 0.00 H new ATOM 0 HA2 GLY B 66 5.286 -2.834 2.610 1.00 0.00 H new ATOM 0 HA3 GLY B 66 3.727 -2.087 2.897 1.00 0.00 H new ATOM 2827 N GLU B 67 5.506 -0.485 1.403 1.00 0.00 N ATOM 2828 CA GLU B 67 6.061 0.761 0.850 1.00 0.00 C ATOM 2829 C GLU B 67 4.944 1.636 0.270 1.00 0.00 C ATOM 2830 O GLU B 67 3.906 1.132 -0.175 1.00 0.00 O ATOM 2831 CB GLU B 67 7.120 0.480 -0.252 1.00 0.00 C ATOM 2832 CG GLU B 67 8.274 -0.448 0.181 1.00 0.00 C ATOM 2833 CD GLU B 67 9.551 -0.231 -0.647 1.00 0.00 C ATOM 2834 OE1 GLU B 67 9.601 -0.677 -1.811 1.00 0.00 O ATOM 2835 OE2 GLU B 67 10.501 0.423 -0.147 1.00 0.00 O ATOM 0 H GLU B 67 5.253 -1.175 0.695 1.00 0.00 H new ATOM 0 HA GLU B 67 6.550 1.287 1.670 1.00 0.00 H new ATOM 0 HB2 GLU B 67 6.619 0.036 -1.113 1.00 0.00 H new ATOM 0 HB3 GLU B 67 7.541 1.430 -0.582 1.00 0.00 H new ATOM 0 HG2 GLU B 67 8.496 -0.278 1.235 1.00 0.00 H new ATOM 0 HG3 GLU B 67 7.956 -1.486 0.085 1.00 0.00 H new ATOM 2842 N LEU B 68 5.184 2.954 0.266 1.00 0.00 N ATOM 2843 CA LEU B 68 4.277 3.943 -0.306 1.00 0.00 C ATOM 2844 C LEU B 68 5.013 4.640 -1.454 1.00 0.00 C ATOM 2845 O LEU B 68 5.839 5.522 -1.202 1.00 0.00 O ATOM 2846 CB LEU B 68 3.823 4.965 0.775 1.00 0.00 C ATOM 2847 CG LEU B 68 2.789 6.038 0.294 1.00 0.00 C ATOM 2848 CD1 LEU B 68 1.464 5.388 -0.166 1.00 0.00 C ATOM 2849 CD2 LEU B 68 2.558 7.119 1.371 1.00 0.00 C ATOM 0 H LEU B 68 6.028 3.363 0.667 1.00 0.00 H new ATOM 0 HA LEU B 68 3.375 3.460 -0.682 1.00 0.00 H new ATOM 0 HB2 LEU B 68 3.389 4.416 1.610 1.00 0.00 H new ATOM 0 HB3 LEU B 68 4.705 5.480 1.156 1.00 0.00 H new ATOM 0 HG LEU B 68 3.215 6.537 -0.576 1.00 0.00 H new ATOM 0 HD11 LEU B 68 0.772 6.164 -0.492 1.00 0.00 H new ATOM 0 HD12 LEU B 68 1.661 4.706 -0.993 1.00 0.00 H new ATOM 0 HD13 LEU B 68 1.023 4.834 0.663 1.00 0.00 H new ATOM 0 HD21 LEU B 68 1.835 7.848 1.005 1.00 0.00 H new ATOM 0 HD22 LEU B 68 2.175 6.652 2.279 1.00 0.00 H new ATOM 0 HD23 LEU B 68 3.500 7.621 1.591 1.00 0.00 H new ATOM 2861 N ALA B 69 4.760 4.223 -2.695 1.00 0.00 N ATOM 2862 CA ALA B 69 5.556 4.660 -3.853 1.00 0.00 C ATOM 2863 C ALA B 69 4.959 5.918 -4.500 1.00 0.00 C ATOM 2864 O ALA B 69 3.845 5.901 -5.040 1.00 0.00 O ATOM 2865 CB ALA B 69 5.711 3.517 -4.861 1.00 0.00 C ATOM 0 H ALA B 69 4.005 3.578 -2.930 1.00 0.00 H new ATOM 0 HA ALA B 69 6.552 4.929 -3.501 1.00 0.00 H new ATOM 0 HB1 ALA B 69 6.302 3.859 -5.710 1.00 0.00 H new ATOM 0 HB2 ALA B 69 6.214 2.676 -4.383 1.00 0.00 H new ATOM 0 HB3 ALA B 69 4.727 3.201 -5.207 1.00 0.00 H new ATOM 2871 N PHE B 70 5.732 7.005 -4.425 1.00 0.00 N ATOM 2872 CA PHE B 70 5.394 8.311 -4.981 1.00 0.00 C ATOM 2873 C PHE B 70 5.903 8.372 -6.428 1.00 0.00 C ATOM 2874 O PHE B 70 7.090 8.148 -6.694 1.00 0.00 O ATOM 2875 CB PHE B 70 6.057 9.431 -4.142 1.00 0.00 C ATOM 2876 CG PHE B 70 5.502 9.665 -2.729 1.00 0.00 C ATOM 2877 CD1 PHE B 70 5.525 8.661 -1.764 1.00 0.00 C ATOM 2878 CD2 PHE B 70 4.999 10.913 -2.357 1.00 0.00 C ATOM 2879 CE1 PHE B 70 5.061 8.890 -0.489 1.00 0.00 C ATOM 2880 CE2 PHE B 70 4.528 11.137 -1.085 1.00 0.00 C ATOM 2881 CZ PHE B 70 4.564 10.125 -0.149 1.00 0.00 C ATOM 0 H PHE B 70 6.640 6.996 -3.959 1.00 0.00 H new ATOM 0 HA PHE B 70 4.314 8.455 -4.960 1.00 0.00 H new ATOM 0 HB2 PHE B 70 7.120 9.205 -4.055 1.00 0.00 H new ATOM 0 HB3 PHE B 70 5.974 10.365 -4.698 1.00 0.00 H new ATOM 0 HD1 PHE B 70 5.913 7.687 -2.021 1.00 0.00 H new ATOM 0 HD2 PHE B 70 4.980 11.715 -3.080 1.00 0.00 H new ATOM 0 HE1 PHE B 70 5.087 8.098 0.245 1.00 0.00 H new ATOM 0 HE2 PHE B 70 4.130 12.105 -0.819 1.00 0.00 H new ATOM 0 HZ PHE B 70 4.201 10.303 0.852 1.00 0.00 H new ATOM 2891 N ARG B 71 4.979 8.627 -7.357 1.00 0.00 N ATOM 2892 CA ARG B 71 5.270 8.679 -8.790 1.00 0.00 C ATOM 2893 C ARG B 71 5.439 10.128 -9.284 1.00 0.00 C ATOM 2894 O ARG B 71 4.612 11.010 -8.995 1.00 0.00 O ATOM 2895 CB ARG B 71 4.132 7.986 -9.586 1.00 0.00 C ATOM 2896 CG ARG B 71 3.840 6.528 -9.163 1.00 0.00 C ATOM 2897 CD ARG B 71 3.004 5.761 -10.205 1.00 0.00 C ATOM 2898 NE ARG B 71 1.629 6.291 -10.377 1.00 0.00 N ATOM 2899 CZ ARG B 71 1.184 6.987 -11.447 1.00 0.00 C ATOM 2900 NH1 ARG B 71 2.012 7.355 -12.420 1.00 0.00 N ATOM 2901 NH2 ARG B 71 -0.097 7.311 -11.537 1.00 0.00 N ATOM 0 H ARG B 71 4.000 8.805 -7.133 1.00 0.00 H new ATOM 0 HA ARG B 71 6.211 8.154 -8.957 1.00 0.00 H new ATOM 0 HB2 ARG B 71 3.220 8.572 -9.473 1.00 0.00 H new ATOM 0 HB3 ARG B 71 4.389 7.998 -10.645 1.00 0.00 H new ATOM 0 HG2 ARG B 71 4.783 6.005 -9.004 1.00 0.00 H new ATOM 0 HG3 ARG B 71 3.312 6.530 -8.210 1.00 0.00 H new ATOM 0 HD2 ARG B 71 3.519 5.794 -11.165 1.00 0.00 H new ATOM 0 HD3 ARG B 71 2.945 4.713 -9.910 1.00 0.00 H new ATOM 0 HE ARG B 71 0.963 6.115 -9.624 1.00 0.00 H new ATOM 0 HH11 ARG B 71 3.001 7.112 -12.367 1.00 0.00 H new ATOM 0 HH12 ARG B 71 1.658 7.880 -13.220 1.00 0.00 H new ATOM 0 HH21 ARG B 71 -0.746 7.035 -10.800 1.00 0.00 H new ATOM 0 HH22 ARG B 71 -0.435 7.836 -12.344 1.00 0.00 H new ATOM 2915 N VAL B 72 6.567 10.348 -9.988 1.00 0.00 N ATOM 2916 CA VAL B 72 6.935 11.639 -10.617 1.00 0.00 C ATOM 2917 C VAL B 72 7.335 11.435 -12.090 1.00 0.00 C ATOM 2918 O VAL B 72 7.574 10.302 -12.534 1.00 0.00 O ATOM 2919 CB VAL B 72 8.147 12.335 -9.886 1.00 0.00 C ATOM 2920 CG1 VAL B 72 7.790 12.794 -8.460 1.00 0.00 C ATOM 2921 CG2 VAL B 72 9.397 11.426 -9.877 1.00 0.00 C ATOM 0 H VAL B 72 7.265 9.620 -10.140 1.00 0.00 H new ATOM 0 HA VAL B 72 6.053 12.275 -10.539 1.00 0.00 H new ATOM 0 HB VAL B 72 8.382 13.231 -10.460 1.00 0.00 H new ATOM 0 HG11 VAL B 72 8.659 13.266 -8.002 1.00 0.00 H new ATOM 0 HG12 VAL B 72 6.969 13.509 -8.503 1.00 0.00 H new ATOM 0 HG13 VAL B 72 7.490 11.932 -7.865 1.00 0.00 H new ATOM 0 HG21 VAL B 72 10.214 11.936 -9.366 1.00 0.00 H new ATOM 0 HG22 VAL B 72 9.167 10.496 -9.357 1.00 0.00 H new ATOM 0 HG23 VAL B 72 9.693 11.204 -10.902 1.00 0.00 H new ATOM 2931 N GLU B 73 7.400 12.558 -12.828 1.00 0.00 N ATOM 2932 CA GLU B 73 7.649 12.569 -14.286 1.00 0.00 C ATOM 2933 C GLU B 73 9.066 12.084 -14.681 1.00 0.00 C ATOM 2934 O GLU B 73 9.198 11.362 -15.677 1.00 0.00 O ATOM 2935 CB GLU B 73 7.356 13.981 -14.865 1.00 0.00 C ATOM 2936 CG GLU B 73 8.191 15.113 -14.251 1.00 0.00 C ATOM 2937 CD GLU B 73 7.729 16.507 -14.686 1.00 0.00 C ATOM 2938 OE1 GLU B 73 6.834 17.071 -14.016 1.00 0.00 O ATOM 2939 OE2 GLU B 73 8.250 17.041 -15.691 1.00 0.00 O ATOM 0 H GLU B 73 7.281 13.490 -12.430 1.00 0.00 H new ATOM 0 HA GLU B 73 6.963 11.846 -14.726 1.00 0.00 H new ATOM 0 HB2 GLU B 73 7.531 13.961 -15.941 1.00 0.00 H new ATOM 0 HB3 GLU B 73 6.300 14.207 -14.718 1.00 0.00 H new ATOM 0 HG2 GLU B 73 8.142 15.044 -13.164 1.00 0.00 H new ATOM 0 HG3 GLU B 73 9.236 14.979 -14.532 1.00 0.00 H new ATOM 2946 N ASN B 74 10.121 12.466 -13.913 1.00 0.00 N ATOM 2947 CA ASN B 74 11.512 12.047 -14.231 1.00 0.00 C ATOM 2948 C ASN B 74 12.458 12.219 -13.031 1.00 0.00 C ATOM 2949 O ASN B 74 12.039 12.653 -11.946 1.00 0.00 O ATOM 2950 CB ASN B 74 12.077 12.824 -15.465 1.00 0.00 C ATOM 2951 CG ASN B 74 12.364 14.306 -15.180 1.00 0.00 C ATOM 2952 OD1 ASN B 74 13.471 14.670 -14.778 1.00 0.00 O ATOM 2953 ND2 ASN B 74 11.382 15.165 -15.395 1.00 0.00 N ATOM 0 H ASN B 74 10.038 13.053 -13.083 1.00 0.00 H new ATOM 0 HA ASN B 74 11.463 10.986 -14.475 1.00 0.00 H new ATOM 0 HB2 ASN B 74 12.996 12.342 -15.797 1.00 0.00 H new ATOM 0 HB3 ASN B 74 11.364 12.752 -16.287 1.00 0.00 H new ATOM 0 HD21 ASN B 74 11.529 16.160 -15.228 1.00 0.00 H new ATOM 0 HD22 ASN B 74 10.477 14.832 -15.728 1.00 0.00 H new ATOM 2960 N ASP B 75 13.742 11.862 -13.265 1.00 0.00 N ATOM 2961 CA ASP B 75 14.763 11.631 -12.219 1.00 0.00 C ATOM 2962 C ASP B 75 15.025 12.872 -11.362 1.00 0.00 C ATOM 2963 O ASP B 75 15.395 12.766 -10.183 1.00 0.00 O ATOM 2964 CB ASP B 75 16.077 11.114 -12.865 1.00 0.00 C ATOM 2965 CG ASP B 75 16.735 12.119 -13.828 1.00 0.00 C ATOM 2966 OD1 ASP B 75 16.153 12.395 -14.900 1.00 0.00 O ATOM 2967 OD2 ASP B 75 17.845 12.616 -13.533 1.00 0.00 O ATOM 0 H ASP B 75 14.104 11.724 -14.208 1.00 0.00 H new ATOM 0 HA ASP B 75 14.370 10.871 -11.544 1.00 0.00 H new ATOM 0 HB2 ASP B 75 16.786 10.865 -12.075 1.00 0.00 H new ATOM 0 HB3 ASP B 75 15.866 10.192 -13.406 1.00 0.00 H new ATOM 2972 N ALA B 76 14.846 14.048 -11.986 1.00 0.00 N ATOM 2973 CA ALA B 76 15.061 15.342 -11.329 1.00 0.00 C ATOM 2974 C ALA B 76 14.055 15.529 -10.189 1.00 0.00 C ATOM 2975 O ALA B 76 14.435 15.827 -9.059 1.00 0.00 O ATOM 2976 CB ALA B 76 14.954 16.492 -12.342 1.00 0.00 C ATOM 0 H ALA B 76 14.549 14.125 -12.959 1.00 0.00 H new ATOM 0 HA ALA B 76 16.067 15.355 -10.910 1.00 0.00 H new ATOM 0 HB1 ALA B 76 15.117 17.442 -11.833 1.00 0.00 H new ATOM 0 HB2 ALA B 76 15.707 16.363 -13.119 1.00 0.00 H new ATOM 0 HB3 ALA B 76 13.962 16.488 -12.794 1.00 0.00 H new ATOM 2982 N GLN B 77 12.773 15.259 -10.508 1.00 0.00 N ATOM 2983 CA GLN B 77 11.640 15.414 -9.579 1.00 0.00 C ATOM 2984 C GLN B 77 11.726 14.446 -8.376 1.00 0.00 C ATOM 2985 O GLN B 77 11.164 14.723 -7.321 1.00 0.00 O ATOM 2986 CB GLN B 77 10.302 15.182 -10.334 1.00 0.00 C ATOM 2987 CG GLN B 77 9.928 16.256 -11.372 1.00 0.00 C ATOM 2988 CD GLN B 77 9.456 17.587 -10.765 1.00 0.00 C ATOM 2989 OE1 GLN B 77 8.861 17.629 -9.682 1.00 0.00 O ATOM 2990 NE2 GLN B 77 9.692 18.682 -11.472 1.00 0.00 N ATOM 0 H GLN B 77 12.494 14.923 -11.430 1.00 0.00 H new ATOM 0 HA GLN B 77 11.682 16.431 -9.188 1.00 0.00 H new ATOM 0 HB2 GLN B 77 10.353 14.217 -10.838 1.00 0.00 H new ATOM 0 HB3 GLN B 77 9.498 15.116 -9.600 1.00 0.00 H new ATOM 0 HG2 GLN B 77 10.793 16.447 -12.008 1.00 0.00 H new ATOM 0 HG3 GLN B 77 9.140 15.864 -12.015 1.00 0.00 H new ATOM 0 HE21 GLN B 77 10.185 18.618 -12.362 1.00 0.00 H new ATOM 0 HE22 GLN B 77 9.380 19.590 -11.126 1.00 0.00 H new ATOM 2999 N VAL B 78 12.468 13.332 -8.550 1.00 0.00 N ATOM 3000 CA VAL B 78 12.754 12.366 -7.463 1.00 0.00 C ATOM 3001 C VAL B 78 13.651 13.033 -6.396 1.00 0.00 C ATOM 3002 O VAL B 78 13.393 12.952 -5.191 1.00 0.00 O ATOM 3003 CB VAL B 78 13.487 11.080 -8.015 1.00 0.00 C ATOM 3004 CG1 VAL B 78 13.748 10.024 -6.909 1.00 0.00 C ATOM 3005 CG2 VAL B 78 12.706 10.458 -9.184 1.00 0.00 C ATOM 0 H VAL B 78 12.886 13.076 -9.445 1.00 0.00 H new ATOM 0 HA VAL B 78 11.803 12.065 -7.025 1.00 0.00 H new ATOM 0 HB VAL B 78 14.460 11.408 -8.381 1.00 0.00 H new ATOM 0 HG11 VAL B 78 14.254 9.161 -7.342 1.00 0.00 H new ATOM 0 HG12 VAL B 78 14.375 10.459 -6.131 1.00 0.00 H new ATOM 0 HG13 VAL B 78 12.799 9.709 -6.476 1.00 0.00 H new ATOM 0 HG21 VAL B 78 13.233 9.575 -9.545 1.00 0.00 H new ATOM 0 HG22 VAL B 78 11.710 10.173 -8.845 1.00 0.00 H new ATOM 0 HG23 VAL B 78 12.621 11.185 -9.992 1.00 0.00 H new ATOM 3015 N ASP B 79 14.689 13.728 -6.902 1.00 0.00 N ATOM 3016 CA ASP B 79 15.726 14.393 -6.099 1.00 0.00 C ATOM 3017 C ASP B 79 15.168 15.662 -5.417 1.00 0.00 C ATOM 3018 O ASP B 79 15.630 16.064 -4.341 1.00 0.00 O ATOM 3019 CB ASP B 79 16.928 14.723 -7.031 1.00 0.00 C ATOM 3020 CG ASP B 79 18.110 15.397 -6.313 1.00 0.00 C ATOM 3021 OD1 ASP B 79 18.964 14.683 -5.767 1.00 0.00 O ATOM 3022 OD2 ASP B 79 18.183 16.647 -6.300 1.00 0.00 O ATOM 0 H ASP B 79 14.830 13.843 -7.906 1.00 0.00 H new ATOM 0 HA ASP B 79 16.060 13.732 -5.299 1.00 0.00 H new ATOM 0 HB2 ASP B 79 17.277 13.801 -7.497 1.00 0.00 H new ATOM 0 HB3 ASP B 79 16.584 15.375 -7.834 1.00 0.00 H new ATOM 3027 N GLU B 80 14.165 16.283 -6.061 1.00 0.00 N ATOM 3028 CA GLU B 80 13.459 17.459 -5.515 1.00 0.00 C ATOM 3029 C GLU B 80 12.613 17.046 -4.305 1.00 0.00 C ATOM 3030 O GLU B 80 12.584 17.729 -3.274 1.00 0.00 O ATOM 3031 CB GLU B 80 12.604 18.134 -6.617 1.00 0.00 C ATOM 3032 CG GLU B 80 13.429 18.526 -7.857 1.00 0.00 C ATOM 3033 CD GLU B 80 12.688 19.435 -8.846 1.00 0.00 C ATOM 3034 OE1 GLU B 80 12.486 20.617 -8.519 1.00 0.00 O ATOM 3035 OE2 GLU B 80 12.313 18.979 -9.945 1.00 0.00 O ATOM 0 H GLU B 80 13.820 15.986 -6.974 1.00 0.00 H new ATOM 0 HA GLU B 80 14.188 18.194 -5.175 1.00 0.00 H new ATOM 0 HB2 GLU B 80 11.805 17.456 -6.917 1.00 0.00 H new ATOM 0 HB3 GLU B 80 12.128 19.025 -6.207 1.00 0.00 H new ATOM 0 HG2 GLU B 80 14.338 19.030 -7.530 1.00 0.00 H new ATOM 0 HG3 GLU B 80 13.737 17.618 -8.376 1.00 0.00 H new ATOM 3042 N THR B 81 11.959 15.878 -4.449 1.00 0.00 N ATOM 3043 CA THR B 81 11.127 15.283 -3.397 1.00 0.00 C ATOM 3044 C THR B 81 11.998 14.819 -2.211 1.00 0.00 C ATOM 3045 O THR B 81 11.556 14.866 -1.057 1.00 0.00 O ATOM 3046 CB THR B 81 10.299 14.092 -3.959 1.00 0.00 C ATOM 3047 OG1 THR B 81 9.617 14.506 -5.147 1.00 0.00 O ATOM 3048 CG2 THR B 81 9.264 13.590 -2.942 1.00 0.00 C ATOM 0 H THR B 81 11.996 15.322 -5.303 1.00 0.00 H new ATOM 0 HA THR B 81 10.435 16.046 -3.040 1.00 0.00 H new ATOM 0 HB THR B 81 10.991 13.278 -4.175 1.00 0.00 H new ATOM 0 HG1 THR B 81 10.263 14.607 -5.877 1.00 0.00 H new ATOM 0 HG21 THR B 81 8.706 12.758 -3.371 1.00 0.00 H new ATOM 0 HG22 THR B 81 9.774 13.257 -2.038 1.00 0.00 H new ATOM 0 HG23 THR B 81 8.576 14.398 -2.693 1.00 0.00 H new ATOM 3056 N PHE B 82 13.244 14.396 -2.523 1.00 0.00 N ATOM 3057 CA PHE B 82 14.271 14.062 -1.519 1.00 0.00 C ATOM 3058 C PHE B 82 14.467 15.245 -0.558 1.00 0.00 C ATOM 3059 O PHE B 82 14.226 15.145 0.648 1.00 0.00 O ATOM 3060 CB PHE B 82 15.603 13.673 -2.230 1.00 0.00 C ATOM 3061 CG PHE B 82 16.732 13.179 -1.312 1.00 0.00 C ATOM 3062 CD1 PHE B 82 17.560 14.077 -0.632 1.00 0.00 C ATOM 3063 CD2 PHE B 82 16.966 11.815 -1.130 1.00 0.00 C ATOM 3064 CE1 PHE B 82 18.575 13.629 0.186 1.00 0.00 C ATOM 3065 CE2 PHE B 82 17.985 11.371 -0.308 1.00 0.00 C ATOM 3066 CZ PHE B 82 18.787 12.280 0.349 1.00 0.00 C ATOM 0 H PHE B 82 13.564 14.277 -3.484 1.00 0.00 H new ATOM 0 HA PHE B 82 13.943 13.204 -0.932 1.00 0.00 H new ATOM 0 HB2 PHE B 82 15.388 12.894 -2.962 1.00 0.00 H new ATOM 0 HB3 PHE B 82 15.964 14.540 -2.784 1.00 0.00 H new ATOM 0 HD1 PHE B 82 17.402 15.139 -0.749 1.00 0.00 H new ATOM 0 HD2 PHE B 82 16.342 11.096 -1.639 1.00 0.00 H new ATOM 0 HE1 PHE B 82 19.205 14.339 0.700 1.00 0.00 H new ATOM 0 HE2 PHE B 82 18.153 10.312 -0.180 1.00 0.00 H new ATOM 0 HZ PHE B 82 19.582 11.932 0.992 1.00 0.00 H new ATOM 3076 N ALA B 83 14.852 16.381 -1.153 1.00 0.00 N ATOM 3077 CA ALA B 83 15.179 17.617 -0.429 1.00 0.00 C ATOM 3078 C ALA B 83 13.985 18.164 0.375 1.00 0.00 C ATOM 3079 O ALA B 83 14.165 18.650 1.494 1.00 0.00 O ATOM 3080 CB ALA B 83 15.688 18.668 -1.423 1.00 0.00 C ATOM 0 H ALA B 83 14.947 16.469 -2.165 1.00 0.00 H new ATOM 0 HA ALA B 83 15.959 17.384 0.296 1.00 0.00 H new ATOM 0 HB1 ALA B 83 15.931 19.586 -0.889 1.00 0.00 H new ATOM 0 HB2 ALA B 83 16.580 18.293 -1.924 1.00 0.00 H new ATOM 0 HB3 ALA B 83 14.915 18.873 -2.163 1.00 0.00 H new ATOM 3086 N GLY B 84 12.781 18.058 -0.209 1.00 0.00 N ATOM 3087 CA GLY B 84 11.549 18.538 0.427 1.00 0.00 C ATOM 3088 C GLY B 84 11.152 17.761 1.683 1.00 0.00 C ATOM 3089 O GLY B 84 10.799 18.365 2.699 1.00 0.00 O ATOM 0 H GLY B 84 12.637 17.640 -1.128 1.00 0.00 H new ATOM 0 HA2 GLY B 84 11.673 19.589 0.687 1.00 0.00 H new ATOM 0 HA3 GLY B 84 10.734 18.482 -0.295 1.00 0.00 H new ATOM 3093 N TRP B 85 11.256 16.421 1.622 1.00 0.00 N ATOM 3094 CA TRP B 85 11.010 15.539 2.788 1.00 0.00 C ATOM 3095 C TRP B 85 12.054 15.811 3.878 1.00 0.00 C ATOM 3096 O TRP B 85 11.711 15.901 5.064 1.00 0.00 O ATOM 3097 CB TRP B 85 11.052 14.068 2.348 1.00 0.00 C ATOM 3098 CG TRP B 85 9.903 13.647 1.467 1.00 0.00 C ATOM 3099 CD1 TRP B 85 8.900 14.419 0.940 1.00 0.00 C ATOM 3100 CD2 TRP B 85 9.648 12.322 1.032 1.00 0.00 C ATOM 3101 NE1 TRP B 85 8.039 13.638 0.220 1.00 0.00 N ATOM 3102 CE2 TRP B 85 8.478 12.347 0.269 1.00 0.00 C ATOM 3103 CE3 TRP B 85 10.294 11.115 1.237 1.00 0.00 C ATOM 3104 CZ2 TRP B 85 7.957 11.214 -0.302 1.00 0.00 C ATOM 3105 CZ3 TRP B 85 9.774 9.985 0.669 1.00 0.00 C ATOM 3106 CH2 TRP B 85 8.605 10.034 -0.079 1.00 0.00 C ATOM 0 H TRP B 85 11.511 15.918 0.772 1.00 0.00 H new ATOM 0 HA TRP B 85 10.022 15.749 3.198 1.00 0.00 H new ATOM 0 HB2 TRP B 85 11.986 13.887 1.817 1.00 0.00 H new ATOM 0 HB3 TRP B 85 11.063 13.436 3.236 1.00 0.00 H new ATOM 0 HD1 TRP B 85 8.804 15.486 1.074 1.00 0.00 H new ATOM 0 HE1 TRP B 85 7.208 13.966 -0.272 1.00 0.00 H new ATOM 0 HE3 TRP B 85 11.192 11.067 1.835 1.00 0.00 H new ATOM 0 HZ2 TRP B 85 7.064 11.254 -0.908 1.00 0.00 H new ATOM 0 HZ3 TRP B 85 10.280 9.040 0.804 1.00 0.00 H new ATOM 0 HH2 TRP B 85 8.201 9.121 -0.492 1.00 0.00 H new ATOM 3117 N LYS B 86 13.325 15.904 3.453 1.00 0.00 N ATOM 3118 CA LYS B 86 14.470 16.175 4.339 1.00 0.00 C ATOM 3119 C LYS B 86 14.251 17.485 5.112 1.00 0.00 C ATOM 3120 O LYS B 86 14.433 17.541 6.332 1.00 0.00 O ATOM 3121 CB LYS B 86 15.762 16.216 3.483 1.00 0.00 C ATOM 3122 CG LYS B 86 17.052 16.575 4.241 1.00 0.00 C ATOM 3123 CD LYS B 86 18.324 16.414 3.364 1.00 0.00 C ATOM 3124 CE LYS B 86 18.192 17.071 1.972 1.00 0.00 C ATOM 3125 NZ LYS B 86 19.476 17.091 1.229 1.00 0.00 N ATOM 0 H LYS B 86 13.589 15.792 2.474 1.00 0.00 H new ATOM 0 HA LYS B 86 14.569 15.383 5.081 1.00 0.00 H new ATOM 0 HB2 LYS B 86 15.897 15.241 3.014 1.00 0.00 H new ATOM 0 HB3 LYS B 86 15.621 16.939 2.680 1.00 0.00 H new ATOM 0 HG2 LYS B 86 16.987 17.604 4.595 1.00 0.00 H new ATOM 0 HG3 LYS B 86 17.140 15.940 5.122 1.00 0.00 H new ATOM 0 HD2 LYS B 86 19.175 16.852 3.886 1.00 0.00 H new ATOM 0 HD3 LYS B 86 18.539 15.353 3.239 1.00 0.00 H new ATOM 0 HE2 LYS B 86 17.447 16.531 1.388 1.00 0.00 H new ATOM 0 HE3 LYS B 86 17.827 18.092 2.089 1.00 0.00 H new ATOM 0 HZ1 LYS B 86 19.306 17.399 0.250 1.00 0.00 H new ATOM 0 HZ2 LYS B 86 20.134 17.751 1.691 1.00 0.00 H new ATOM 0 HZ3 LYS B 86 19.889 16.137 1.224 1.00 0.00 H new ATOM 3139 N ALA B 87 13.783 18.506 4.381 1.00 0.00 N ATOM 3140 CA ALA B 87 13.512 19.841 4.932 1.00 0.00 C ATOM 3141 C ALA B 87 12.314 19.831 5.903 1.00 0.00 C ATOM 3142 O ALA B 87 12.253 20.615 6.851 1.00 0.00 O ATOM 3143 CB ALA B 87 13.270 20.835 3.787 1.00 0.00 C ATOM 0 H ALA B 87 13.581 18.428 3.384 1.00 0.00 H new ATOM 0 HA ALA B 87 14.386 20.153 5.504 1.00 0.00 H new ATOM 0 HB1 ALA B 87 13.069 21.824 4.200 1.00 0.00 H new ATOM 0 HB2 ALA B 87 14.154 20.880 3.151 1.00 0.00 H new ATOM 0 HB3 ALA B 87 12.414 20.508 3.196 1.00 0.00 H new ATOM 3149 N SER B 88 11.378 18.898 5.650 1.00 0.00 N ATOM 3150 CA SER B 88 10.118 18.764 6.412 1.00 0.00 C ATOM 3151 C SER B 88 10.195 17.654 7.494 1.00 0.00 C ATOM 3152 O SER B 88 9.177 17.246 8.066 1.00 0.00 O ATOM 3153 CB SER B 88 8.959 18.466 5.429 1.00 0.00 C ATOM 3154 OG SER B 88 8.804 19.513 4.478 1.00 0.00 O ATOM 0 H SER B 88 11.474 18.208 4.904 1.00 0.00 H new ATOM 0 HA SER B 88 9.941 19.705 6.934 1.00 0.00 H new ATOM 0 HB2 SER B 88 9.152 17.527 4.910 1.00 0.00 H new ATOM 0 HB3 SER B 88 8.031 18.338 5.986 1.00 0.00 H new ATOM 0 HG SER B 88 9.408 19.360 3.722 1.00 0.00 H new ATOM 3160 N GLY B 89 11.434 17.194 7.758 1.00 0.00 N ATOM 3161 CA GLY B 89 11.749 16.389 8.939 1.00 0.00 C ATOM 3162 C GLY B 89 11.501 14.896 8.773 1.00 0.00 C ATOM 3163 O GLY B 89 10.769 14.291 9.566 1.00 0.00 O ATOM 0 H GLY B 89 12.238 17.373 7.156 1.00 0.00 H new ATOM 0 HA2 GLY B 89 12.796 16.543 9.199 1.00 0.00 H new ATOM 0 HA3 GLY B 89 11.156 16.751 9.778 1.00 0.00 H new ATOM 3167 N VAL B 90 12.107 14.291 7.739 1.00 0.00 N ATOM 3168 CA VAL B 90 12.129 12.821 7.570 1.00 0.00 C ATOM 3169 C VAL B 90 13.527 12.294 7.988 1.00 0.00 C ATOM 3170 O VAL B 90 14.508 13.049 7.917 1.00 0.00 O ATOM 3171 CB VAL B 90 11.773 12.415 6.083 1.00 0.00 C ATOM 3172 CG1 VAL B 90 12.964 12.593 5.117 1.00 0.00 C ATOM 3173 CG2 VAL B 90 11.192 10.988 6.003 1.00 0.00 C ATOM 0 H VAL B 90 12.593 14.798 7.000 1.00 0.00 H new ATOM 0 HA VAL B 90 11.371 12.366 8.208 1.00 0.00 H new ATOM 0 HB VAL B 90 10.997 13.107 5.755 1.00 0.00 H new ATOM 0 HG11 VAL B 90 12.664 12.300 4.111 1.00 0.00 H new ATOM 0 HG12 VAL B 90 13.276 13.637 5.113 1.00 0.00 H new ATOM 0 HG13 VAL B 90 13.795 11.968 5.444 1.00 0.00 H new ATOM 0 HG21 VAL B 90 10.961 10.747 4.965 1.00 0.00 H new ATOM 0 HG22 VAL B 90 11.922 10.276 6.387 1.00 0.00 H new ATOM 0 HG23 VAL B 90 10.282 10.932 6.600 1.00 0.00 H new ATOM 3183 N ALA B 91 13.619 11.031 8.445 1.00 0.00 N ATOM 3184 CA ALA B 91 14.909 10.431 8.873 1.00 0.00 C ATOM 3185 C ALA B 91 15.849 10.217 7.668 1.00 0.00 C ATOM 3186 O ALA B 91 17.032 10.562 7.743 1.00 0.00 O ATOM 3187 CB ALA B 91 14.676 9.118 9.626 1.00 0.00 C ATOM 0 H ALA B 91 12.820 10.403 8.529 1.00 0.00 H new ATOM 0 HA ALA B 91 15.394 11.130 9.554 1.00 0.00 H new ATOM 0 HB1 ALA B 91 15.635 8.697 9.929 1.00 0.00 H new ATOM 0 HB2 ALA B 91 14.067 9.309 10.510 1.00 0.00 H new ATOM 0 HB3 ALA B 91 14.160 8.412 8.975 1.00 0.00 H new ATOM 3193 N MET B 92 15.298 9.635 6.572 1.00 0.00 N ATOM 3194 CA MET B 92 15.989 9.541 5.258 1.00 0.00 C ATOM 3195 C MET B 92 17.261 8.650 5.311 1.00 0.00 C ATOM 3196 O MET B 92 18.368 9.154 5.541 1.00 0.00 O ATOM 3197 CB MET B 92 16.332 10.963 4.699 1.00 0.00 C ATOM 3198 CG MET B 92 16.907 10.976 3.268 1.00 0.00 C ATOM 3199 SD MET B 92 15.635 10.761 2.008 1.00 0.00 S ATOM 3200 CE MET B 92 14.868 12.381 2.009 1.00 0.00 C ATOM 0 H MET B 92 14.367 9.219 6.573 1.00 0.00 H new ATOM 0 HA MET B 92 15.291 9.056 4.575 1.00 0.00 H new ATOM 0 HB2 MET B 92 15.429 11.573 4.718 1.00 0.00 H new ATOM 0 HB3 MET B 92 17.050 11.437 5.368 1.00 0.00 H new ATOM 0 HG2 MET B 92 17.426 11.919 3.098 1.00 0.00 H new ATOM 0 HG3 MET B 92 17.648 10.182 3.171 1.00 0.00 H new ATOM 0 HE1 MET B 92 13.785 12.271 2.073 1.00 0.00 H new ATOM 0 HE2 MET B 92 15.226 12.953 2.865 1.00 0.00 H new ATOM 0 HE3 MET B 92 15.125 12.906 1.089 1.00 0.00 H new ATOM 3210 N LEU B 93 17.092 7.312 5.184 1.00 0.00 N ATOM 3211 CA LEU B 93 18.238 6.376 5.090 1.00 0.00 C ATOM 3212 C LEU B 93 18.114 5.468 3.838 1.00 0.00 C ATOM 3213 O LEU B 93 17.691 4.317 3.930 1.00 0.00 O ATOM 3214 CB LEU B 93 18.449 5.548 6.435 1.00 0.00 C ATOM 3215 CG LEU B 93 17.200 5.131 7.317 1.00 0.00 C ATOM 3216 CD1 LEU B 93 16.591 6.323 8.075 1.00 0.00 C ATOM 3217 CD2 LEU B 93 16.121 4.384 6.511 1.00 0.00 C ATOM 0 H LEU B 93 16.179 6.859 5.144 1.00 0.00 H new ATOM 0 HA LEU B 93 19.143 6.971 4.964 1.00 0.00 H new ATOM 0 HB2 LEU B 93 18.979 4.633 6.172 1.00 0.00 H new ATOM 0 HB3 LEU B 93 19.115 6.130 7.072 1.00 0.00 H new ATOM 0 HG LEU B 93 17.589 4.433 8.058 1.00 0.00 H new ATOM 0 HD11 LEU B 93 15.739 5.983 8.664 1.00 0.00 H new ATOM 0 HD12 LEU B 93 17.341 6.754 8.738 1.00 0.00 H new ATOM 0 HD13 LEU B 93 16.261 7.078 7.361 1.00 0.00 H new ATOM 0 HD21 LEU B 93 15.291 4.124 7.168 1.00 0.00 H new ATOM 0 HD22 LEU B 93 15.760 5.024 5.706 1.00 0.00 H new ATOM 0 HD23 LEU B 93 16.547 3.474 6.088 1.00 0.00 H new ATOM 3229 N GLN B 94 18.550 6.013 2.678 1.00 0.00 N ATOM 3230 CA GLN B 94 18.622 5.303 1.375 1.00 0.00 C ATOM 3231 C GLN B 94 19.146 6.310 0.326 1.00 0.00 C ATOM 3232 O GLN B 94 18.780 7.497 0.361 1.00 0.00 O ATOM 3233 CB GLN B 94 17.236 4.694 0.949 1.00 0.00 C ATOM 3234 CG GLN B 94 17.274 3.463 -0.003 1.00 0.00 C ATOM 3235 CD GLN B 94 17.608 3.781 -1.461 1.00 0.00 C ATOM 3236 OE1 GLN B 94 17.273 4.846 -1.962 1.00 0.00 O ATOM 3237 NE2 GLN B 94 18.251 2.850 -2.156 1.00 0.00 N ATOM 0 H GLN B 94 18.869 6.980 2.619 1.00 0.00 H new ATOM 0 HA GLN B 94 19.299 4.453 1.458 1.00 0.00 H new ATOM 0 HB2 GLN B 94 16.698 4.408 1.853 1.00 0.00 H new ATOM 0 HB3 GLN B 94 16.654 5.479 0.466 1.00 0.00 H new ATOM 0 HG2 GLN B 94 18.009 2.753 0.376 1.00 0.00 H new ATOM 0 HG3 GLN B 94 16.304 2.966 0.031 1.00 0.00 H new ATOM 0 HE21 GLN B 94 18.517 1.972 -1.709 1.00 0.00 H new ATOM 0 HE22 GLN B 94 18.479 3.012 -3.137 1.00 0.00 H new ATOM 3246 N GLN B 95 20.006 5.836 -0.583 1.00 0.00 N ATOM 3247 CA GLN B 95 20.681 6.679 -1.581 1.00 0.00 C ATOM 3248 C GLN B 95 19.823 6.794 -2.863 1.00 0.00 C ATOM 3249 O GLN B 95 19.484 5.760 -3.459 1.00 0.00 O ATOM 3250 CB GLN B 95 22.071 6.081 -1.917 1.00 0.00 C ATOM 3251 CG GLN B 95 22.992 5.883 -0.690 1.00 0.00 C ATOM 3252 CD GLN B 95 24.385 5.354 -1.063 1.00 0.00 C ATOM 3253 OE1 GLN B 95 24.548 4.648 -2.060 1.00 0.00 O ATOM 3254 NE2 GLN B 95 25.394 5.672 -0.257 1.00 0.00 N ATOM 0 H GLN B 95 20.256 4.849 -0.648 1.00 0.00 H new ATOM 0 HA GLN B 95 20.813 7.678 -1.167 1.00 0.00 H new ATOM 0 HB2 GLN B 95 21.930 5.119 -2.410 1.00 0.00 H new ATOM 0 HB3 GLN B 95 22.572 6.735 -2.631 1.00 0.00 H new ATOM 0 HG2 GLN B 95 23.099 6.833 -0.166 1.00 0.00 H new ATOM 0 HG3 GLN B 95 22.519 5.188 0.004 1.00 0.00 H new ATOM 0 HE21 GLN B 95 25.228 6.258 0.561 1.00 0.00 H new ATOM 0 HE22 GLN B 95 26.334 5.330 -0.457 1.00 0.00 H new ATOM 3263 N PRO B 96 19.459 8.048 -3.313 1.00 0.00 N ATOM 3264 CA PRO B 96 18.731 8.255 -4.582 1.00 0.00 C ATOM 3265 C PRO B 96 19.605 7.824 -5.774 1.00 0.00 C ATOM 3266 O PRO B 96 20.512 8.550 -6.197 1.00 0.00 O ATOM 3267 CB PRO B 96 18.394 9.775 -4.592 1.00 0.00 C ATOM 3268 CG PRO B 96 19.399 10.393 -3.664 1.00 0.00 C ATOM 3269 CD PRO B 96 19.725 9.334 -2.623 1.00 0.00 C ATOM 0 HA PRO B 96 17.824 7.657 -4.666 1.00 0.00 H new ATOM 0 HB2 PRO B 96 18.473 10.192 -5.596 1.00 0.00 H new ATOM 0 HB3 PRO B 96 17.375 9.957 -4.251 1.00 0.00 H new ATOM 0 HG2 PRO B 96 20.295 10.694 -4.206 1.00 0.00 H new ATOM 0 HG3 PRO B 96 18.995 11.289 -3.194 1.00 0.00 H new ATOM 0 HD2 PRO B 96 20.763 9.403 -2.297 1.00 0.00 H new ATOM 0 HD3 PRO B 96 19.103 9.445 -1.735 1.00 0.00 H new ATOM 3277 N ALA B 97 19.352 6.602 -6.254 1.00 0.00 N ATOM 3278 CA ALA B 97 20.191 5.932 -7.255 1.00 0.00 C ATOM 3279 C ALA B 97 19.332 5.347 -8.381 1.00 0.00 C ATOM 3280 O ALA B 97 18.129 5.107 -8.209 1.00 0.00 O ATOM 3281 CB ALA B 97 21.024 4.836 -6.572 1.00 0.00 C ATOM 0 H ALA B 97 18.552 6.044 -5.956 1.00 0.00 H new ATOM 0 HA ALA B 97 20.866 6.662 -7.703 1.00 0.00 H new ATOM 0 HB1 ALA B 97 21.648 4.337 -7.314 1.00 0.00 H new ATOM 0 HB2 ALA B 97 21.658 5.284 -5.807 1.00 0.00 H new ATOM 0 HB3 ALA B 97 20.358 4.108 -6.110 1.00 0.00 H new ATOM 3287 N LYS B 98 19.967 5.144 -9.542 1.00 0.00 N ATOM 3288 CA LYS B 98 19.344 4.537 -10.718 1.00 0.00 C ATOM 3289 C LYS B 98 19.165 3.024 -10.463 1.00 0.00 C ATOM 3290 O LYS B 98 20.142 2.270 -10.471 1.00 0.00 O ATOM 3291 CB LYS B 98 20.213 4.819 -11.999 1.00 0.00 C ATOM 3292 CG LYS B 98 19.515 5.626 -13.123 1.00 0.00 C ATOM 3293 CD LYS B 98 18.110 5.080 -13.475 1.00 0.00 C ATOM 3294 CE LYS B 98 17.550 5.653 -14.787 1.00 0.00 C ATOM 3295 NZ LYS B 98 17.538 7.143 -14.807 1.00 0.00 N ATOM 0 H LYS B 98 20.943 5.402 -9.690 1.00 0.00 H new ATOM 0 HA LYS B 98 18.362 4.976 -10.894 1.00 0.00 H new ATOM 0 HB2 LYS B 98 21.111 5.357 -11.695 1.00 0.00 H new ATOM 0 HB3 LYS B 98 20.539 3.864 -12.412 1.00 0.00 H new ATOM 0 HG2 LYS B 98 19.427 6.668 -12.814 1.00 0.00 H new ATOM 0 HG3 LYS B 98 20.140 5.610 -14.016 1.00 0.00 H new ATOM 0 HD2 LYS B 98 18.158 3.994 -13.551 1.00 0.00 H new ATOM 0 HD3 LYS B 98 17.423 5.312 -12.662 1.00 0.00 H new ATOM 0 HE2 LYS B 98 18.148 5.288 -15.622 1.00 0.00 H new ATOM 0 HE3 LYS B 98 16.535 5.284 -14.936 1.00 0.00 H new ATOM 0 HZ1 LYS B 98 16.597 7.479 -15.097 1.00 0.00 H new ATOM 0 HZ2 LYS B 98 17.757 7.505 -13.857 1.00 0.00 H new ATOM 0 HZ3 LYS B 98 18.251 7.487 -15.481 1.00 0.00 H new ATOM 3309 N MET B 99 17.920 2.619 -10.199 1.00 0.00 N ATOM 3310 CA MET B 99 17.553 1.227 -9.858 1.00 0.00 C ATOM 3311 C MET B 99 16.959 0.520 -11.099 1.00 0.00 C ATOM 3312 O MET B 99 16.738 1.167 -12.132 1.00 0.00 O ATOM 3313 CB MET B 99 16.539 1.262 -8.675 1.00 0.00 C ATOM 3314 CG MET B 99 16.340 -0.050 -7.915 1.00 0.00 C ATOM 3315 SD MET B 99 15.262 0.156 -6.484 1.00 0.00 S ATOM 3316 CE MET B 99 15.757 -1.229 -5.471 1.00 0.00 C ATOM 0 H MET B 99 17.121 3.253 -10.214 1.00 0.00 H new ATOM 0 HA MET B 99 18.433 0.661 -9.552 1.00 0.00 H new ATOM 0 HB2 MET B 99 16.867 2.022 -7.966 1.00 0.00 H new ATOM 0 HB3 MET B 99 15.572 1.583 -9.062 1.00 0.00 H new ATOM 0 HG2 MET B 99 15.914 -0.796 -8.585 1.00 0.00 H new ATOM 0 HG3 MET B 99 17.308 -0.430 -7.588 1.00 0.00 H new ATOM 0 HE1 MET B 99 15.239 -1.182 -4.513 1.00 0.00 H new ATOM 0 HE2 MET B 99 15.501 -2.160 -5.977 1.00 0.00 H new ATOM 0 HE3 MET B 99 16.833 -1.191 -5.304 1.00 0.00 H new ATOM 3326 N GLU B 100 16.713 -0.801 -10.979 1.00 0.00 N ATOM 3327 CA GLU B 100 16.113 -1.643 -12.043 1.00 0.00 C ATOM 3328 C GLU B 100 14.760 -1.093 -12.535 1.00 0.00 C ATOM 3329 O GLU B 100 14.435 -1.176 -13.725 1.00 0.00 O ATOM 3330 CB GLU B 100 15.921 -3.089 -11.504 1.00 0.00 C ATOM 3331 CG GLU B 100 17.211 -3.764 -10.985 1.00 0.00 C ATOM 3332 CD GLU B 100 18.296 -3.933 -12.064 1.00 0.00 C ATOM 3333 OE1 GLU B 100 18.227 -4.901 -12.845 1.00 0.00 O ATOM 3334 OE2 GLU B 100 19.217 -3.099 -12.140 1.00 0.00 O ATOM 0 H GLU B 100 16.927 -1.323 -10.129 1.00 0.00 H new ATOM 0 HA GLU B 100 16.795 -1.637 -12.893 1.00 0.00 H new ATOM 0 HB2 GLU B 100 15.189 -3.066 -10.696 1.00 0.00 H new ATOM 0 HB3 GLU B 100 15.500 -3.705 -12.299 1.00 0.00 H new ATOM 0 HG2 GLU B 100 17.616 -3.172 -10.164 1.00 0.00 H new ATOM 0 HG3 GLU B 100 16.960 -4.743 -10.578 1.00 0.00 H new ATOM 3341 N PHE B 101 13.985 -0.541 -11.594 1.00 0.00 N ATOM 3342 CA PHE B 101 12.631 -0.004 -11.854 1.00 0.00 C ATOM 3343 C PHE B 101 12.695 1.487 -12.250 1.00 0.00 C ATOM 3344 O PHE B 101 11.691 2.073 -12.663 1.00 0.00 O ATOM 3345 CB PHE B 101 11.752 -0.215 -10.591 1.00 0.00 C ATOM 3346 CG PHE B 101 11.875 -1.632 -10.021 1.00 0.00 C ATOM 3347 CD1 PHE B 101 11.376 -2.728 -10.724 1.00 0.00 C ATOM 3348 CD2 PHE B 101 12.529 -1.866 -8.809 1.00 0.00 C ATOM 3349 CE1 PHE B 101 11.527 -4.008 -10.230 1.00 0.00 C ATOM 3350 CE2 PHE B 101 12.671 -3.146 -8.318 1.00 0.00 C ATOM 3351 CZ PHE B 101 12.174 -4.216 -9.026 1.00 0.00 C ATOM 0 H PHE B 101 14.276 -0.451 -10.621 1.00 0.00 H new ATOM 0 HA PHE B 101 12.184 -0.538 -12.692 1.00 0.00 H new ATOM 0 HB2 PHE B 101 12.040 0.507 -9.827 1.00 0.00 H new ATOM 0 HB3 PHE B 101 10.710 -0.016 -10.840 1.00 0.00 H new ATOM 0 HD1 PHE B 101 10.867 -2.574 -11.664 1.00 0.00 H new ATOM 0 HD2 PHE B 101 12.929 -1.033 -8.249 1.00 0.00 H new ATOM 0 HE1 PHE B 101 11.139 -4.849 -10.785 1.00 0.00 H new ATOM 0 HE2 PHE B 101 13.173 -3.309 -7.376 1.00 0.00 H new ATOM 0 HZ PHE B 101 12.289 -5.218 -8.641 1.00 0.00 H new ATOM 3361 N GLY B 102 13.899 2.072 -12.123 1.00 0.00 N ATOM 3362 CA GLY B 102 14.158 3.472 -12.449 1.00 0.00 C ATOM 3363 C GLY B 102 14.807 4.218 -11.295 1.00 0.00 C ATOM 3364 O GLY B 102 15.135 3.616 -10.274 1.00 0.00 O ATOM 0 H GLY B 102 14.724 1.575 -11.787 1.00 0.00 H new ATOM 0 HA2 GLY B 102 14.805 3.526 -13.324 1.00 0.00 H new ATOM 0 HA3 GLY B 102 13.221 3.961 -12.715 1.00 0.00 H new ATOM 3368 N TYR B 103 14.957 5.546 -11.441 1.00 0.00 N ATOM 3369 CA TYR B 103 15.716 6.369 -10.486 1.00 0.00 C ATOM 3370 C TYR B 103 14.864 6.595 -9.227 1.00 0.00 C ATOM 3371 O TYR B 103 13.907 7.358 -9.275 1.00 0.00 O ATOM 3372 CB TYR B 103 16.103 7.723 -11.138 1.00 0.00 C ATOM 3373 CG TYR B 103 17.169 8.485 -10.349 1.00 0.00 C ATOM 3374 CD1 TYR B 103 18.504 8.127 -10.468 1.00 0.00 C ATOM 3375 CD2 TYR B 103 16.849 9.540 -9.493 1.00 0.00 C ATOM 3376 CE1 TYR B 103 19.484 8.776 -9.772 1.00 0.00 C ATOM 3377 CE2 TYR B 103 17.829 10.203 -8.788 1.00 0.00 C ATOM 3378 CZ TYR B 103 19.147 9.816 -8.931 1.00 0.00 C ATOM 3379 OH TYR B 103 20.132 10.474 -8.243 1.00 0.00 O ATOM 0 H TYR B 103 14.559 6.074 -12.217 1.00 0.00 H new ATOM 0 HA TYR B 103 16.635 5.854 -10.206 1.00 0.00 H new ATOM 0 HB2 TYR B 103 16.468 7.542 -12.149 1.00 0.00 H new ATOM 0 HB3 TYR B 103 15.212 8.344 -11.227 1.00 0.00 H new ATOM 0 HD1 TYR B 103 18.775 7.315 -11.127 1.00 0.00 H new ATOM 0 HD2 TYR B 103 15.818 9.841 -9.382 1.00 0.00 H new ATOM 0 HE1 TYR B 103 20.516 8.477 -9.880 1.00 0.00 H new ATOM 0 HE2 TYR B 103 17.569 11.018 -8.129 1.00 0.00 H new ATOM 0 HH TYR B 103 20.402 9.939 -7.468 1.00 0.00 H new ATOM 3389 N THR B 104 15.206 5.925 -8.116 1.00 0.00 N ATOM 3390 CA THR B 104 14.348 5.888 -6.920 1.00 0.00 C ATOM 3391 C THR B 104 15.140 6.190 -5.640 1.00 0.00 C ATOM 3392 O THR B 104 16.380 6.182 -5.643 1.00 0.00 O ATOM 3393 CB THR B 104 13.654 4.483 -6.784 1.00 0.00 C ATOM 3394 OG1 THR B 104 12.618 4.526 -5.786 1.00 0.00 O ATOM 3395 CG2 THR B 104 14.648 3.364 -6.429 1.00 0.00 C ATOM 0 H THR B 104 16.075 5.399 -8.020 1.00 0.00 H new ATOM 0 HA THR B 104 13.590 6.662 -7.044 1.00 0.00 H new ATOM 0 HB THR B 104 13.226 4.255 -7.760 1.00 0.00 H new ATOM 0 HG1 THR B 104 12.257 5.435 -5.728 1.00 0.00 H new ATOM 0 HG21 THR B 104 14.115 2.417 -6.348 1.00 0.00 H new ATOM 0 HG22 THR B 104 15.405 3.289 -7.210 1.00 0.00 H new ATOM 0 HG23 THR B 104 15.129 3.593 -5.478 1.00 0.00 H new ATOM 3403 N PHE B 105 14.394 6.461 -4.554 1.00 0.00 N ATOM 3404 CA PHE B 105 14.937 6.541 -3.194 1.00 0.00 C ATOM 3405 C PHE B 105 13.830 6.209 -2.182 1.00 0.00 C ATOM 3406 O PHE B 105 12.640 6.276 -2.528 1.00 0.00 O ATOM 3407 CB PHE B 105 15.565 7.947 -2.881 1.00 0.00 C ATOM 3408 CG PHE B 105 14.581 9.034 -2.394 1.00 0.00 C ATOM 3409 CD1 PHE B 105 13.905 9.851 -3.292 1.00 0.00 C ATOM 3410 CD2 PHE B 105 14.323 9.217 -1.025 1.00 0.00 C ATOM 3411 CE1 PHE B 105 13.011 10.801 -2.848 1.00 0.00 C ATOM 3412 CE2 PHE B 105 13.428 10.167 -0.590 1.00 0.00 C ATOM 3413 CZ PHE B 105 12.771 10.957 -1.501 1.00 0.00 C ATOM 0 H PHE B 105 13.389 6.631 -4.600 1.00 0.00 H new ATOM 0 HA PHE B 105 15.744 5.813 -3.113 1.00 0.00 H new ATOM 0 HB2 PHE B 105 16.337 7.817 -2.122 1.00 0.00 H new ATOM 0 HB3 PHE B 105 16.060 8.310 -3.781 1.00 0.00 H new ATOM 0 HD1 PHE B 105 14.083 9.740 -4.352 1.00 0.00 H new ATOM 0 HD2 PHE B 105 14.836 8.601 -0.301 1.00 0.00 H new ATOM 0 HE1 PHE B 105 12.495 11.427 -3.561 1.00 0.00 H new ATOM 0 HE2 PHE B 105 13.242 10.291 0.467 1.00 0.00 H new ATOM 0 HZ PHE B 105 12.066 11.701 -1.161 1.00 0.00 H new ATOM 3423 N THR B 106 14.210 5.880 -0.944 1.00 0.00 N ATOM 3424 CA THR B 106 13.245 5.558 0.119 1.00 0.00 C ATOM 3425 C THR B 106 13.629 6.280 1.428 1.00 0.00 C ATOM 3426 O THR B 106 14.762 6.185 1.893 1.00 0.00 O ATOM 3427 CB THR B 106 13.158 4.016 0.352 1.00 0.00 C ATOM 3428 OG1 THR B 106 12.908 3.344 -0.891 1.00 0.00 O ATOM 3429 CG2 THR B 106 12.047 3.635 1.355 1.00 0.00 C ATOM 0 H THR B 106 15.185 5.829 -0.649 1.00 0.00 H new ATOM 0 HA THR B 106 12.262 5.906 -0.199 1.00 0.00 H new ATOM 0 HB THR B 106 14.115 3.705 0.770 1.00 0.00 H new ATOM 0 HG1 THR B 106 13.295 2.444 -0.860 1.00 0.00 H new ATOM 0 HG21 THR B 106 12.027 2.553 1.482 1.00 0.00 H new ATOM 0 HG22 THR B 106 12.246 4.110 2.316 1.00 0.00 H new ATOM 0 HG23 THR B 106 11.083 3.973 0.976 1.00 0.00 H new ATOM 3437 N ALA B 107 12.673 7.003 2.012 1.00 0.00 N ATOM 3438 CA ALA B 107 12.855 7.700 3.288 1.00 0.00 C ATOM 3439 C ALA B 107 12.083 6.987 4.405 1.00 0.00 C ATOM 3440 O ALA B 107 11.086 6.315 4.136 1.00 0.00 O ATOM 3441 CB ALA B 107 12.408 9.156 3.144 1.00 0.00 C ATOM 0 H ALA B 107 11.743 7.123 1.611 1.00 0.00 H new ATOM 0 HA ALA B 107 13.911 7.687 3.560 1.00 0.00 H new ATOM 0 HB1 ALA B 107 12.544 9.674 4.093 1.00 0.00 H new ATOM 0 HB2 ALA B 107 13.005 9.646 2.375 1.00 0.00 H new ATOM 0 HB3 ALA B 107 11.356 9.187 2.861 1.00 0.00 H new ATOM 3447 N ALA B 108 12.555 7.111 5.649 1.00 0.00 N ATOM 3448 CA ALA B 108 11.831 6.608 6.829 1.00 0.00 C ATOM 3449 C ALA B 108 11.301 7.802 7.624 1.00 0.00 C ATOM 3450 O ALA B 108 12.084 8.633 8.073 1.00 0.00 O ATOM 3451 CB ALA B 108 12.744 5.730 7.694 1.00 0.00 C ATOM 0 H ALA B 108 13.444 7.560 5.870 1.00 0.00 H new ATOM 0 HA ALA B 108 10.994 5.987 6.509 1.00 0.00 H new ATOM 0 HB1 ALA B 108 12.188 5.370 8.560 1.00 0.00 H new ATOM 0 HB2 ALA B 108 13.094 4.880 7.108 1.00 0.00 H new ATOM 0 HB3 ALA B 108 13.600 6.315 8.030 1.00 0.00 H new ATOM 3457 N ASP B 109 9.972 7.908 7.751 1.00 0.00 N ATOM 3458 CA ASP B 109 9.312 8.965 8.553 1.00 0.00 C ATOM 3459 C ASP B 109 9.536 8.708 10.076 1.00 0.00 C ATOM 3460 O ASP B 109 10.094 7.668 10.424 1.00 0.00 O ATOM 3461 CB ASP B 109 7.798 9.001 8.192 1.00 0.00 C ATOM 3462 CG ASP B 109 7.001 7.834 8.766 1.00 0.00 C ATOM 3463 OD1 ASP B 109 7.302 6.698 8.392 1.00 0.00 O ATOM 3464 OD2 ASP B 109 6.091 8.050 9.593 1.00 0.00 O ATOM 0 H ASP B 109 9.317 7.267 7.303 1.00 0.00 H new ATOM 0 HA ASP B 109 9.748 9.937 8.322 1.00 0.00 H new ATOM 0 HB2 ASP B 109 7.369 9.935 8.555 1.00 0.00 H new ATOM 0 HB3 ASP B 109 7.693 9.002 7.107 1.00 0.00 H new ATOM 3469 N PRO B 110 9.155 9.660 11.006 1.00 0.00 N ATOM 3470 CA PRO B 110 9.249 9.452 12.489 1.00 0.00 C ATOM 3471 C PRO B 110 8.689 8.085 12.978 1.00 0.00 C ATOM 3472 O PRO B 110 9.277 7.444 13.855 1.00 0.00 O ATOM 3473 CB PRO B 110 8.421 10.645 13.072 1.00 0.00 C ATOM 3474 CG PRO B 110 7.734 11.265 11.888 1.00 0.00 C ATOM 3475 CD PRO B 110 8.661 11.035 10.724 1.00 0.00 C ATOM 0 HA PRO B 110 10.288 9.427 12.818 1.00 0.00 H new ATOM 0 HB2 PRO B 110 7.697 10.298 13.810 1.00 0.00 H new ATOM 0 HB3 PRO B 110 9.068 11.365 13.573 1.00 0.00 H new ATOM 0 HG2 PRO B 110 6.761 10.805 11.713 1.00 0.00 H new ATOM 0 HG3 PRO B 110 7.560 12.329 12.047 1.00 0.00 H new ATOM 0 HD2 PRO B 110 8.142 11.096 9.768 1.00 0.00 H new ATOM 0 HD3 PRO B 110 9.471 11.764 10.694 1.00 0.00 H new ATOM 3483 N ASP B 111 7.568 7.648 12.384 1.00 0.00 N ATOM 3484 CA ASP B 111 6.882 6.384 12.770 1.00 0.00 C ATOM 3485 C ASP B 111 7.505 5.163 12.067 1.00 0.00 C ATOM 3486 O ASP B 111 7.180 4.019 12.406 1.00 0.00 O ATOM 3487 CB ASP B 111 5.368 6.497 12.465 1.00 0.00 C ATOM 3488 CG ASP B 111 4.715 7.637 13.262 1.00 0.00 C ATOM 3489 OD1 ASP B 111 4.884 8.821 12.883 1.00 0.00 O ATOM 3490 OD2 ASP B 111 4.080 7.365 14.304 1.00 0.00 O ATOM 0 H ASP B 111 7.106 8.150 11.626 1.00 0.00 H new ATOM 0 HA ASP B 111 7.014 6.232 13.841 1.00 0.00 H new ATOM 0 HB2 ASP B 111 5.223 6.668 11.398 1.00 0.00 H new ATOM 0 HB3 ASP B 111 4.876 5.555 12.707 1.00 0.00 H new ATOM 3495 N SER B 112 8.380 5.439 11.080 1.00 0.00 N ATOM 3496 CA SER B 112 9.249 4.450 10.416 1.00 0.00 C ATOM 3497 C SER B 112 8.448 3.536 9.474 1.00 0.00 C ATOM 3498 O SER B 112 8.014 2.440 9.848 1.00 0.00 O ATOM 3499 CB SER B 112 10.090 3.628 11.432 1.00 0.00 C ATOM 3500 OG SER B 112 10.784 4.476 12.332 1.00 0.00 O ATOM 0 H SER B 112 8.504 6.383 10.713 1.00 0.00 H new ATOM 0 HA SER B 112 9.956 5.012 9.806 1.00 0.00 H new ATOM 0 HB2 SER B 112 9.436 2.958 11.991 1.00 0.00 H new ATOM 0 HB3 SER B 112 10.803 3.003 10.895 1.00 0.00 H new ATOM 0 HG SER B 112 11.303 3.932 12.960 1.00 0.00 H new ATOM 3506 N HIS B 113 8.204 4.045 8.263 1.00 0.00 N ATOM 3507 CA HIS B 113 7.640 3.276 7.139 1.00 0.00 C ATOM 3508 C HIS B 113 8.624 3.385 5.975 1.00 0.00 C ATOM 3509 O HIS B 113 9.668 4.047 6.092 1.00 0.00 O ATOM 3510 CB HIS B 113 6.237 3.807 6.714 1.00 0.00 C ATOM 3511 CG HIS B 113 5.335 4.106 7.877 1.00 0.00 C ATOM 3512 ND1 HIS B 113 4.859 5.368 8.133 1.00 0.00 N ATOM 3513 CD2 HIS B 113 4.881 3.332 8.890 1.00 0.00 C ATOM 3514 CE1 HIS B 113 4.178 5.363 9.246 1.00 0.00 C ATOM 3515 NE2 HIS B 113 4.168 4.148 9.730 1.00 0.00 N ATOM 0 H HIS B 113 8.394 5.019 8.028 1.00 0.00 H new ATOM 0 HA HIS B 113 7.499 2.238 7.441 1.00 0.00 H new ATOM 0 HB2 HIS B 113 6.364 4.712 6.120 1.00 0.00 H new ATOM 0 HB3 HIS B 113 5.757 3.069 6.072 1.00 0.00 H new ATOM 0 HD2 HIS B 113 5.049 2.272 9.013 1.00 0.00 H new ATOM 0 HE1 HIS B 113 3.701 6.222 9.694 1.00 0.00 H new ATOM 0 HE2 HIS B 113 3.706 3.856 10.591 1.00 0.00 H new ATOM 3524 N ARG B 114 8.295 2.753 4.855 1.00 0.00 N ATOM 3525 CA ARG B 114 9.097 2.846 3.635 1.00 0.00 C ATOM 3526 C ARG B 114 8.386 3.784 2.655 1.00 0.00 C ATOM 3527 O ARG B 114 7.414 3.401 2.020 1.00 0.00 O ATOM 3528 CB ARG B 114 9.308 1.431 3.042 1.00 0.00 C ATOM 3529 CG ARG B 114 9.943 0.411 4.015 1.00 0.00 C ATOM 3530 CD ARG B 114 11.339 0.839 4.502 1.00 0.00 C ATOM 3531 NE ARG B 114 11.810 0.008 5.628 1.00 0.00 N ATOM 3532 CZ ARG B 114 13.002 0.129 6.233 1.00 0.00 C ATOM 3533 NH1 ARG B 114 13.916 0.975 5.772 1.00 0.00 N ATOM 3534 NH2 ARG B 114 13.275 -0.608 7.297 1.00 0.00 N ATOM 0 H ARG B 114 7.468 2.163 4.764 1.00 0.00 H new ATOM 0 HA ARG B 114 10.084 3.257 3.848 1.00 0.00 H new ATOM 0 HB2 ARG B 114 8.345 1.044 2.709 1.00 0.00 H new ATOM 0 HB3 ARG B 114 9.941 1.513 2.159 1.00 0.00 H new ATOM 0 HG2 ARG B 114 9.287 0.281 4.876 1.00 0.00 H new ATOM 0 HG3 ARG B 114 10.017 -0.558 3.521 1.00 0.00 H new ATOM 0 HD2 ARG B 114 12.048 0.768 3.677 1.00 0.00 H new ATOM 0 HD3 ARG B 114 11.311 1.884 4.810 1.00 0.00 H new ATOM 0 HE ARG B 114 11.179 -0.715 5.974 1.00 0.00 H new ATOM 0 HH11 ARG B 114 13.716 1.543 4.949 1.00 0.00 H new ATOM 0 HH12 ARG B 114 14.818 1.057 6.241 1.00 0.00 H new ATOM 0 HH21 ARG B 114 12.581 -1.265 7.654 1.00 0.00 H new ATOM 0 HH22 ARG B 114 14.179 -0.520 7.760 1.00 0.00 H new ATOM 3548 N LEU B 115 8.833 5.044 2.600 1.00 0.00 N ATOM 3549 CA LEU B 115 8.256 6.065 1.711 1.00 0.00 C ATOM 3550 C LEU B 115 9.133 6.158 0.450 1.00 0.00 C ATOM 3551 O LEU B 115 10.220 6.724 0.491 1.00 0.00 O ATOM 3552 CB LEU B 115 8.177 7.451 2.435 1.00 0.00 C ATOM 3553 CG LEU B 115 7.243 7.575 3.694 1.00 0.00 C ATOM 3554 CD1 LEU B 115 5.824 7.045 3.414 1.00 0.00 C ATOM 3555 CD2 LEU B 115 7.862 6.922 4.948 1.00 0.00 C ATOM 0 H LEU B 115 9.606 5.387 3.170 1.00 0.00 H new ATOM 0 HA LEU B 115 7.239 5.784 1.436 1.00 0.00 H new ATOM 0 HB2 LEU B 115 9.187 7.726 2.740 1.00 0.00 H new ATOM 0 HB3 LEU B 115 7.852 8.191 1.704 1.00 0.00 H new ATOM 0 HG LEU B 115 7.150 8.640 3.908 1.00 0.00 H new ATOM 0 HD11 LEU B 115 5.213 7.150 4.310 1.00 0.00 H new ATOM 0 HD12 LEU B 115 5.376 7.616 2.601 1.00 0.00 H new ATOM 0 HD13 LEU B 115 5.877 5.993 3.132 1.00 0.00 H new ATOM 0 HD21 LEU B 115 7.180 7.034 5.791 1.00 0.00 H new ATOM 0 HD22 LEU B 115 8.035 5.863 4.759 1.00 0.00 H new ATOM 0 HD23 LEU B 115 8.809 7.408 5.181 1.00 0.00 H new ATOM 3567 N ARG B 116 8.648 5.582 -0.656 1.00 0.00 N ATOM 3568 CA ARG B 116 9.380 5.524 -1.934 1.00 0.00 C ATOM 3569 C ARG B 116 9.077 6.769 -2.786 1.00 0.00 C ATOM 3570 O ARG B 116 7.997 7.305 -2.685 1.00 0.00 O ATOM 3571 CB ARG B 116 9.048 4.209 -2.691 1.00 0.00 C ATOM 3572 CG ARG B 116 9.809 4.037 -4.033 1.00 0.00 C ATOM 3573 CD ARG B 116 9.838 2.584 -4.540 1.00 0.00 C ATOM 3574 NE ARG B 116 10.490 1.669 -3.577 1.00 0.00 N ATOM 3575 CZ ARG B 116 11.812 1.620 -3.287 1.00 0.00 C ATOM 3576 NH1 ARG B 116 12.685 2.435 -3.865 1.00 0.00 N ATOM 3577 NH2 ARG B 116 12.235 0.740 -2.395 1.00 0.00 N ATOM 0 H ARG B 116 7.730 5.139 -0.693 1.00 0.00 H new ATOM 0 HA ARG B 116 10.450 5.522 -1.729 1.00 0.00 H new ATOM 0 HB2 ARG B 116 9.279 3.363 -2.044 1.00 0.00 H new ATOM 0 HB3 ARG B 116 7.976 4.177 -2.887 1.00 0.00 H new ATOM 0 HG2 ARG B 116 9.343 4.668 -4.789 1.00 0.00 H new ATOM 0 HG3 ARG B 116 10.833 4.391 -3.909 1.00 0.00 H new ATOM 0 HD2 ARG B 116 8.819 2.246 -4.727 1.00 0.00 H new ATOM 0 HD3 ARG B 116 10.367 2.544 -5.492 1.00 0.00 H new ATOM 0 HE ARG B 116 9.885 1.012 -3.084 1.00 0.00 H new ATOM 0 HH11 ARG B 116 12.366 3.122 -4.548 1.00 0.00 H new ATOM 0 HH12 ARG B 116 13.675 2.374 -3.626 1.00 0.00 H new ATOM 0 HH21 ARG B 116 11.570 0.115 -1.940 1.00 0.00 H new ATOM 0 HH22 ARG B 116 13.227 0.686 -2.162 1.00 0.00 H new ATOM 3591 N VAL B 117 10.038 7.232 -3.596 1.00 0.00 N ATOM 3592 CA VAL B 117 9.767 8.108 -4.771 1.00 0.00 C ATOM 3593 C VAL B 117 10.617 7.593 -5.916 1.00 0.00 C ATOM 3594 O VAL B 117 11.813 7.379 -5.718 1.00 0.00 O ATOM 3595 CB VAL B 117 10.100 9.630 -4.555 1.00 0.00 C ATOM 3596 CG1 VAL B 117 9.603 10.499 -5.748 1.00 0.00 C ATOM 3597 CG2 VAL B 117 9.552 10.141 -3.232 1.00 0.00 C ATOM 0 H VAL B 117 11.027 7.017 -3.466 1.00 0.00 H new ATOM 0 HA VAL B 117 8.695 8.063 -4.963 1.00 0.00 H new ATOM 0 HB VAL B 117 11.186 9.720 -4.515 1.00 0.00 H new ATOM 0 HG11 VAL B 117 9.850 11.545 -5.564 1.00 0.00 H new ATOM 0 HG12 VAL B 117 10.088 10.167 -6.666 1.00 0.00 H new ATOM 0 HG13 VAL B 117 8.523 10.394 -5.849 1.00 0.00 H new ATOM 0 HG21 VAL B 117 9.802 11.196 -3.118 1.00 0.00 H new ATOM 0 HG22 VAL B 117 8.469 10.021 -3.216 1.00 0.00 H new ATOM 0 HG23 VAL B 117 9.992 9.573 -2.412 1.00 0.00 H new ATOM 3607 N TYR B 118 10.030 7.395 -7.115 1.00 0.00 N ATOM 3608 CA TYR B 118 10.774 6.830 -8.251 1.00 0.00 C ATOM 3609 C TYR B 118 10.487 7.552 -9.568 1.00 0.00 C ATOM 3610 O TYR B 118 9.478 8.255 -9.688 1.00 0.00 O ATOM 3611 CB TYR B 118 10.556 5.295 -8.377 1.00 0.00 C ATOM 3612 CG TYR B 118 9.187 4.830 -8.895 1.00 0.00 C ATOM 3613 CD1 TYR B 118 8.054 4.861 -8.080 1.00 0.00 C ATOM 3614 CD2 TYR B 118 9.044 4.321 -10.194 1.00 0.00 C ATOM 3615 CE1 TYR B 118 6.839 4.405 -8.540 1.00 0.00 C ATOM 3616 CE2 TYR B 118 7.828 3.872 -10.659 1.00 0.00 C ATOM 3617 CZ TYR B 118 6.730 3.910 -9.832 1.00 0.00 C ATOM 3618 OH TYR B 118 5.516 3.439 -10.289 1.00 0.00 O ATOM 0 H TYR B 118 9.055 7.616 -7.316 1.00 0.00 H new ATOM 0 HA TYR B 118 11.830 6.995 -8.036 1.00 0.00 H new ATOM 0 HB2 TYR B 118 11.323 4.896 -9.040 1.00 0.00 H new ATOM 0 HB3 TYR B 118 10.718 4.847 -7.397 1.00 0.00 H new ATOM 0 HD1 TYR B 118 8.132 5.248 -7.075 1.00 0.00 H new ATOM 0 HD2 TYR B 118 9.906 4.280 -10.844 1.00 0.00 H new ATOM 0 HE1 TYR B 118 5.972 4.432 -7.896 1.00 0.00 H new ATOM 0 HE2 TYR B 118 7.737 3.493 -11.666 1.00 0.00 H new ATOM 0 HH TYR B 118 5.087 2.906 -9.588 1.00 0.00 H new ATOM 3628 N ALA B 119 11.352 7.325 -10.554 1.00 0.00 N ATOM 3629 CA ALA B 119 11.133 7.710 -11.949 1.00 0.00 C ATOM 3630 C ALA B 119 11.287 6.442 -12.777 1.00 0.00 C ATOM 3631 O ALA B 119 12.396 5.922 -12.877 1.00 0.00 O ATOM 3632 CB ALA B 119 12.152 8.773 -12.379 1.00 0.00 C ATOM 0 H ALA B 119 12.246 6.857 -10.403 1.00 0.00 H new ATOM 0 HA ALA B 119 10.144 8.146 -12.088 1.00 0.00 H new ATOM 0 HB1 ALA B 119 11.975 9.048 -13.419 1.00 0.00 H new ATOM 0 HB2 ALA B 119 12.046 9.655 -11.748 1.00 0.00 H new ATOM 0 HB3 ALA B 119 13.161 8.373 -12.277 1.00 0.00 H new ATOM 3638 N PHE B 120 10.180 5.958 -13.364 1.00 0.00 N ATOM 3639 CA PHE B 120 10.122 4.630 -13.999 1.00 0.00 C ATOM 3640 C PHE B 120 10.960 4.609 -15.288 1.00 0.00 C ATOM 3641 O PHE B 120 10.694 5.385 -16.214 1.00 0.00 O ATOM 3642 CB PHE B 120 8.649 4.231 -14.295 1.00 0.00 C ATOM 3643 CG PHE B 120 8.482 2.843 -14.932 1.00 0.00 C ATOM 3644 CD1 PHE B 120 8.710 1.688 -14.182 1.00 0.00 C ATOM 3645 CD2 PHE B 120 8.104 2.694 -16.273 1.00 0.00 C ATOM 3646 CE1 PHE B 120 8.573 0.436 -14.749 1.00 0.00 C ATOM 3647 CE2 PHE B 120 7.967 1.440 -16.838 1.00 0.00 C ATOM 3648 CZ PHE B 120 8.199 0.311 -16.076 1.00 0.00 C ATOM 0 H PHE B 120 9.302 6.475 -13.412 1.00 0.00 H new ATOM 0 HA PHE B 120 10.542 3.900 -13.307 1.00 0.00 H new ATOM 0 HB2 PHE B 120 8.084 4.260 -13.364 1.00 0.00 H new ATOM 0 HB3 PHE B 120 8.210 4.977 -14.958 1.00 0.00 H new ATOM 0 HD1 PHE B 120 8.997 1.774 -13.145 1.00 0.00 H new ATOM 0 HD2 PHE B 120 7.917 3.572 -16.874 1.00 0.00 H new ATOM 0 HE1 PHE B 120 8.758 -0.447 -14.156 1.00 0.00 H new ATOM 0 HE2 PHE B 120 7.679 1.343 -17.874 1.00 0.00 H new ATOM 0 HZ PHE B 120 8.089 -0.669 -16.516 1.00 0.00 H new ATOM 3658 N ALA B 121 11.978 3.731 -15.310 1.00 0.00 N ATOM 3659 CA ALA B 121 12.808 3.484 -16.494 1.00 0.00 C ATOM 3660 C ALA B 121 11.973 2.703 -17.527 1.00 0.00 C ATOM 3661 O ALA B 121 11.828 1.477 -17.421 1.00 0.00 O ATOM 3662 CB ALA B 121 14.088 2.713 -16.102 1.00 0.00 C ATOM 0 H ALA B 121 12.247 3.172 -14.501 1.00 0.00 H new ATOM 0 HA ALA B 121 13.123 4.430 -16.935 1.00 0.00 H new ATOM 0 HB1 ALA B 121 14.694 2.537 -16.991 1.00 0.00 H new ATOM 0 HB2 ALA B 121 14.660 3.300 -15.383 1.00 0.00 H new ATOM 0 HB3 ALA B 121 13.815 1.757 -15.655 1.00 0.00 H new ATOM 3668 N GLY B 122 11.363 3.447 -18.466 1.00 0.00 N ATOM 3669 CA GLY B 122 10.522 2.871 -19.513 1.00 0.00 C ATOM 3670 C GLY B 122 11.362 2.439 -20.711 1.00 0.00 C ATOM 3671 O GLY B 122 11.796 1.276 -20.760 1.00 0.00 O ATOM 3672 OXT GLY B 122 11.638 3.283 -21.585 1.00 0.00 O ATOM 0 H GLY B 122 11.443 4.463 -18.515 1.00 0.00 H new ATOM 0 HA2 GLY B 122 9.978 2.013 -19.117 1.00 0.00 H new ATOM 0 HA3 GLY B 122 9.778 3.602 -19.830 1.00 0.00 H new TER 3676 GLY B 122