USER MOD reduce.3.24.130724 H: found=0, std=0, add=1626, rem=0, adj=66 USER MOD reduce.3.24.130724 removed 1626 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 73 GLN : amide:sc= 0.346 K(o=0.085,f=-8.7!) USER MOD Set 1.2: B 96 LYS NZ :NH3+ -149:sc= -0.261 (180deg=-0.815) USER MOD Set 2.1: A 76 CYS SG : rot 74:sc= 1.71 USER MOD Set 2.2: B 80 SER OG : rot -73:sc= 0.759 USER MOD Set 3.1: A 96 LYS NZ :NH3+ -151:sc= -0.749 (180deg=-1.09) USER MOD Set 3.2: B 73 GLN : amide:sc=0.000578 K(o=-0.75,f=-9.7!) USER MOD Set 4.1: A 80 SER OG : rot -76:sc= 0.81 USER MOD Set 4.2: B 76 CYS SG : rot 74:sc= 1.78 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -161:sc= -0.0243 (180deg=-0.405) USER MOD Single : A 3 CYS SG : rot 180:sc= -0.969 USER MOD Single : A 7 LYS NZ :NH3+ -108:sc= -1.77 (180deg=-3.99!) USER MOD Single : A 12 MET CE :methyl 158:sc= -0.181 (180deg=-1.36!) USER MOD Single : A 14 SER OG : rot 76:sc= 0.92 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HE2:sc= -2.45 K(o=-2.4,f=-3.3!) USER MOD Single : A 18 LYS NZ :NH3+ -145:sc= 0 (180deg=-0.0454) USER MOD Single : A 19 TYR OH : rot 180:sc= -0.0186 USER MOD Single : A 20 SER OG : rot -149:sc= -1.04! USER MOD Single : A 22 LYS NZ :NH3+ -120:sc= -5.21! (180deg=-11.1!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.238) USER MOD Single : A 30 ASN :FLIP amide:sc= -1.16 F(o=-3!,f=-1.2) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -162:sc= -0.0583 (180deg=-0.432) USER MOD Single : A 39 THR OG1 : rot 77:sc= 1.09 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.231) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 153:sc= -0.293 (180deg=-2.43!) USER MOD Single : A 60 SER OG : rot 87:sc= 0.9 USER MOD Single : A 61 ASN : amide:sc= -0.36 X(o=-0.36,f=-0.69) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -2.03 K(o=-2,f=-11!) USER MOD Single : A 68 ASN : amide:sc= -1.38! C(o=-1.4!,f=-12!) USER MOD Single : A 75 TYR OH : rot 57:sc= 0.138 USER MOD Single : A 81 CYS SG : rot 180:sc= 0 USER MOD Single : A 84 MET CE :methyl 168:sc= -0.756 (180deg=-0.829) USER MOD Single : A 85 MET CE :methyl -145:sc= -0.0856 (180deg=-2.75) USER MOD Single : A 86 CYS SG : rot 51:sc= -1.31! USER MOD Single : A 87 ASN :FLIP amide:sc= -0.367 F(o=-2,f=-0.37) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 LYS NZ :NH3+ -125:sc= -1.41 (180deg=-3.93!) USER MOD Single : A 101 LYS NZ :NH3+ 158:sc= -0.667 (180deg=-1.27) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -160:sc= -0.0357 (180deg=-0.427) USER MOD Single : B 3 CYS SG : rot 180:sc= -1.12 USER MOD Single : B 7 LYS NZ :NH3+ -110:sc= -2.06 (180deg=-4.63!) USER MOD Single : B 12 MET CE :methyl 160:sc= -0.171 (180deg=-1.27!) USER MOD Single : B 14 SER OG : rot 76:sc= 0.913 USER MOD Single : B 15 THR OG1 : rot 180:sc= 0 USER MOD Single : B 17 HIS : no HE2:sc= -2.18 K(o=-2.2,f=-3.1!) USER MOD Single : B 18 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0537) USER MOD Single : B 19 TYR OH : rot 180:sc= -0.0326 USER MOD Single : B 20 SER OG : rot 87:sc= -0.826 USER MOD Single : B 22 LYS NZ :NH3+ -116:sc= -5.32! (180deg=-11.4!) USER MOD Single : B 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 28 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.202) USER MOD Single : B 30 ASN :FLIP amide:sc= -1.19 F(o=-3!,f=-1.2) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 SER OG : rot 180:sc= 0 USER MOD Single : B 35 LYS NZ :NH3+ -162:sc= -0.0288 (180deg=-0.402) USER MOD Single : B 39 THR OG1 : rot 79:sc= 1.05 USER MOD Single : B 44 SER OG : rot 180:sc= 0 USER MOD Single : B 48 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.179) USER MOD Single : B 50 THR OG1 : rot -19:sc= 0.15 USER MOD Single : B 56 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : B 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 59 MET CE :methyl 153:sc= -0.321 (180deg=-2.49!) USER MOD Single : B 60 SER OG : rot 92:sc= 0.808 USER MOD Single : B 61 ASN : amide:sc= -0.424 X(o=-0.42,f=-0.62) USER MOD Single : B 64 SER OG : rot 180:sc= 0 USER MOD Single : B 65 ASN : amide:sc= -2.09 K(o=-2.1,f=-11!) USER MOD Single : B 68 ASN : amide:sc= -1.22! C(o=-1.2!,f=-12!) USER MOD Single : B 75 TYR OH : rot 56:sc= 0.186 USER MOD Single : B 81 CYS SG : rot 180:sc= 0 USER MOD Single : B 84 MET CE :methyl 164:sc= -0.697 (180deg=-0.833) USER MOD Single : B 85 MET CE :methyl -142:sc= -0.0791 (180deg=-2.97) USER MOD Single : B 86 CYS SG : rot 61:sc= -1.41! USER MOD Single : B 87 ASN :FLIP amide:sc= -0.261 F(o=-1.6,f=-0.26) USER MOD Single : B 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 100 LYS NZ :NH3+ -125:sc= -1.3 (180deg=-3.52!) USER MOD Single : B 101 LYS NZ :NH3+ 158:sc= -0.965 (180deg=-1.61) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 73.360 8.481 -16.783 1.00 0.00 N ATOM 2 CA MET A 1 73.087 7.036 -17.024 1.00 0.00 C ATOM 3 C MET A 1 74.101 6.196 -16.244 1.00 0.00 C ATOM 4 O MET A 1 75.243 6.060 -16.638 1.00 0.00 O ATOM 5 CB MET A 1 73.214 6.736 -18.520 1.00 0.00 C ATOM 6 CG MET A 1 72.106 7.466 -19.284 1.00 0.00 C ATOM 7 SD MET A 1 72.260 7.110 -21.053 1.00 0.00 S ATOM 8 CE MET A 1 70.869 8.121 -21.617 1.00 0.00 C ATOM 0 H1 MET A 1 72.517 9.039 -17.028 1.00 0.00 H new ATOM 0 H2 MET A 1 73.593 8.628 -15.780 1.00 0.00 H new ATOM 0 H3 MET A 1 74.161 8.786 -17.373 1.00 0.00 H new ATOM 0 HA MET A 1 72.078 6.792 -16.692 1.00 0.00 H new ATOM 0 HB2 MET A 1 74.191 7.054 -18.884 1.00 0.00 H new ATOM 0 HB3 MET A 1 73.143 5.662 -18.694 1.00 0.00 H new ATOM 0 HG2 MET A 1 71.129 7.148 -18.921 1.00 0.00 H new ATOM 0 HG3 MET A 1 72.176 8.540 -19.110 1.00 0.00 H new ATOM 0 HE1 MET A 1 70.780 8.046 -22.701 1.00 0.00 H new ATOM 0 HE2 MET A 1 69.949 7.766 -21.152 1.00 0.00 H new ATOM 0 HE3 MET A 1 71.038 9.161 -21.338 1.00 0.00 H new ATOM 20 N ALA A 2 73.696 5.637 -15.137 1.00 0.00 N ATOM 21 CA ALA A 2 74.639 4.814 -14.327 1.00 0.00 C ATOM 22 C ALA A 2 74.770 3.416 -14.938 1.00 0.00 C ATOM 23 O ALA A 2 73.891 2.947 -15.634 1.00 0.00 O ATOM 24 CB ALA A 2 74.108 4.695 -12.897 1.00 0.00 C ATOM 0 H ALA A 2 72.752 5.714 -14.758 1.00 0.00 H new ATOM 0 HA ALA A 2 75.618 5.294 -14.319 1.00 0.00 H new ATOM 0 HB1 ALA A 2 74.796 4.094 -12.302 1.00 0.00 H new ATOM 0 HB2 ALA A 2 74.021 5.689 -12.457 1.00 0.00 H new ATOM 0 HB3 ALA A 2 73.128 4.218 -12.911 1.00 0.00 H new ATOM 30 N CYS A 3 75.862 2.746 -14.676 1.00 0.00 N ATOM 31 CA CYS A 3 76.053 1.373 -15.231 1.00 0.00 C ATOM 32 C CYS A 3 77.443 0.829 -14.833 1.00 0.00 C ATOM 33 O CYS A 3 77.547 -0.288 -14.367 1.00 0.00 O ATOM 34 CB CYS A 3 75.860 1.393 -16.778 1.00 0.00 C ATOM 35 SG CYS A 3 77.270 0.636 -17.644 1.00 0.00 S ATOM 0 H CYS A 3 76.631 3.091 -14.101 1.00 0.00 H new ATOM 0 HA CYS A 3 75.303 0.702 -14.811 1.00 0.00 H new ATOM 0 HB2 CYS A 3 74.945 0.860 -17.037 1.00 0.00 H new ATOM 0 HB3 CYS A 3 75.736 2.422 -17.116 1.00 0.00 H new ATOM 0 HG CYS A 3 77.063 0.674 -18.927 1.00 0.00 H new ATOM 41 N PRO A 4 78.508 1.584 -15.017 1.00 0.00 N ATOM 42 CA PRO A 4 79.866 1.081 -14.656 1.00 0.00 C ATOM 43 C PRO A 4 79.999 0.751 -13.164 1.00 0.00 C ATOM 44 O PRO A 4 80.961 0.145 -12.735 1.00 0.00 O ATOM 45 CB PRO A 4 80.784 2.252 -15.068 1.00 0.00 C ATOM 46 CG PRO A 4 79.935 3.275 -15.845 1.00 0.00 C ATOM 47 CD PRO A 4 78.451 2.966 -15.581 1.00 0.00 C ATOM 0 HA PRO A 4 80.110 0.141 -15.151 1.00 0.00 H new ATOM 0 HB2 PRO A 4 81.227 2.716 -14.187 1.00 0.00 H new ATOM 0 HB3 PRO A 4 81.606 1.892 -15.686 1.00 0.00 H new ATOM 0 HG2 PRO A 4 80.175 4.289 -15.526 1.00 0.00 H new ATOM 0 HG3 PRO A 4 80.152 3.217 -16.912 1.00 0.00 H new ATOM 0 HD2 PRO A 4 78.007 3.673 -14.880 1.00 0.00 H new ATOM 0 HD3 PRO A 4 77.858 3.008 -16.495 1.00 0.00 H new ATOM 55 N LEU A 5 79.044 1.144 -12.376 1.00 0.00 N ATOM 56 CA LEU A 5 79.116 0.855 -10.918 1.00 0.00 C ATOM 57 C LEU A 5 79.175 -0.661 -10.712 1.00 0.00 C ATOM 58 O LEU A 5 79.858 -1.153 -9.838 1.00 0.00 O ATOM 59 CB LEU A 5 77.878 1.434 -10.224 1.00 0.00 C ATOM 60 CG LEU A 5 77.922 1.152 -8.713 1.00 0.00 C ATOM 61 CD1 LEU A 5 79.117 1.875 -8.071 1.00 0.00 C ATOM 62 CD2 LEU A 5 76.619 1.655 -8.080 1.00 0.00 C ATOM 0 H LEU A 5 78.214 1.654 -12.677 1.00 0.00 H new ATOM 0 HA LEU A 5 80.008 1.311 -10.490 1.00 0.00 H new ATOM 0 HB2 LEU A 5 77.827 2.509 -10.397 1.00 0.00 H new ATOM 0 HB3 LEU A 5 76.976 0.998 -10.654 1.00 0.00 H new ATOM 0 HG LEU A 5 78.032 0.080 -8.547 1.00 0.00 H new ATOM 0 HD11 LEU A 5 79.136 1.667 -7.001 1.00 0.00 H new ATOM 0 HD12 LEU A 5 80.043 1.523 -8.526 1.00 0.00 H new ATOM 0 HD13 LEU A 5 79.021 2.949 -8.230 1.00 0.00 H new ATOM 0 HD21 LEU A 5 76.637 1.461 -7.008 1.00 0.00 H new ATOM 0 HD22 LEU A 5 76.520 2.727 -8.253 1.00 0.00 H new ATOM 0 HD23 LEU A 5 75.772 1.135 -8.529 1.00 0.00 H new ATOM 74 N GLU A 6 78.455 -1.403 -11.508 1.00 0.00 N ATOM 75 CA GLU A 6 78.453 -2.886 -11.354 1.00 0.00 C ATOM 76 C GLU A 6 79.869 -3.440 -11.539 1.00 0.00 C ATOM 77 O GLU A 6 80.316 -4.279 -10.784 1.00 0.00 O ATOM 78 CB GLU A 6 77.544 -3.489 -12.426 1.00 0.00 C ATOM 79 CG GLU A 6 76.085 -3.165 -12.107 1.00 0.00 C ATOM 80 CD GLU A 6 75.178 -3.769 -13.181 1.00 0.00 C ATOM 81 OE1 GLU A 6 75.705 -4.235 -14.178 1.00 0.00 O ATOM 82 OE2 GLU A 6 73.973 -3.751 -12.990 1.00 0.00 O ATOM 0 H GLU A 6 77.866 -1.045 -12.260 1.00 0.00 H new ATOM 0 HA GLU A 6 78.096 -3.143 -10.357 1.00 0.00 H new ATOM 0 HB2 GLU A 6 77.809 -3.092 -13.406 1.00 0.00 H new ATOM 0 HB3 GLU A 6 77.685 -4.569 -12.471 1.00 0.00 H new ATOM 0 HG2 GLU A 6 75.820 -3.562 -11.127 1.00 0.00 H new ATOM 0 HG3 GLU A 6 75.943 -2.085 -12.062 1.00 0.00 H new ATOM 89 N LYS A 7 80.575 -2.982 -12.531 1.00 0.00 N ATOM 90 CA LYS A 7 81.956 -3.488 -12.748 1.00 0.00 C ATOM 91 C LYS A 7 82.846 -2.937 -11.649 1.00 0.00 C ATOM 92 O LYS A 7 83.591 -3.651 -11.011 1.00 0.00 O ATOM 93 CB LYS A 7 82.468 -3.008 -14.104 1.00 0.00 C ATOM 94 CG LYS A 7 81.420 -3.324 -15.169 1.00 0.00 C ATOM 95 CD LYS A 7 82.023 -3.147 -16.568 1.00 0.00 C ATOM 96 CE LYS A 7 82.447 -1.690 -16.782 1.00 0.00 C ATOM 97 NZ LYS A 7 83.786 -1.464 -16.170 1.00 0.00 N ATOM 0 H LYS A 7 80.257 -2.281 -13.200 1.00 0.00 H new ATOM 0 HA LYS A 7 81.964 -4.578 -12.729 1.00 0.00 H new ATOM 0 HB2 LYS A 7 82.664 -1.936 -14.075 1.00 0.00 H new ATOM 0 HB3 LYS A 7 83.411 -3.498 -14.346 1.00 0.00 H new ATOM 0 HG2 LYS A 7 81.061 -4.346 -15.046 1.00 0.00 H new ATOM 0 HG3 LYS A 7 80.559 -2.667 -15.050 1.00 0.00 H new ATOM 0 HD2 LYS A 7 82.884 -3.805 -16.687 1.00 0.00 H new ATOM 0 HD3 LYS A 7 81.294 -3.436 -17.325 1.00 0.00 H new ATOM 0 HE2 LYS A 7 82.480 -1.463 -17.848 1.00 0.00 H new ATOM 0 HE3 LYS A 7 81.714 -1.018 -16.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 83.682 -0.885 -15.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 84.213 -2.379 -15.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 84.399 -0.970 -16.849 1.00 0.00 H new ATOM 111 N ALA A 8 82.752 -1.669 -11.401 1.00 0.00 N ATOM 112 CA ALA A 8 83.570 -1.078 -10.319 1.00 0.00 C ATOM 113 C ALA A 8 83.175 -1.787 -9.033 1.00 0.00 C ATOM 114 O ALA A 8 83.999 -2.143 -8.218 1.00 0.00 O ATOM 115 CB ALA A 8 83.306 0.425 -10.220 1.00 0.00 C ATOM 0 H ALA A 8 82.146 -1.017 -11.899 1.00 0.00 H new ATOM 0 HA ALA A 8 84.635 -1.205 -10.513 1.00 0.00 H new ATOM 0 HB1 ALA A 8 83.913 0.849 -9.420 1.00 0.00 H new ATOM 0 HB2 ALA A 8 83.565 0.903 -11.165 1.00 0.00 H new ATOM 0 HB3 ALA A 8 82.251 0.596 -10.004 1.00 0.00 H new ATOM 121 N LEU A 9 81.911 -2.044 -8.870 1.00 0.00 N ATOM 122 CA LEU A 9 81.475 -2.785 -7.670 1.00 0.00 C ATOM 123 C LEU A 9 82.178 -4.134 -7.709 1.00 0.00 C ATOM 124 O LEU A 9 82.651 -4.632 -6.707 1.00 0.00 O ATOM 125 CB LEU A 9 79.954 -2.968 -7.682 1.00 0.00 C ATOM 126 CG LEU A 9 79.502 -3.753 -6.442 1.00 0.00 C ATOM 127 CD1 LEU A 9 79.895 -3.004 -5.158 1.00 0.00 C ATOM 128 CD2 LEU A 9 77.979 -3.917 -6.496 1.00 0.00 C ATOM 0 H LEU A 9 81.168 -1.773 -9.514 1.00 0.00 H new ATOM 0 HA LEU A 9 81.728 -2.243 -6.759 1.00 0.00 H new ATOM 0 HB2 LEU A 9 79.464 -1.995 -7.703 1.00 0.00 H new ATOM 0 HB3 LEU A 9 79.652 -3.497 -8.586 1.00 0.00 H new ATOM 0 HG LEU A 9 79.988 -4.729 -6.434 1.00 0.00 H new ATOM 0 HD11 LEU A 9 79.567 -3.575 -4.289 1.00 0.00 H new ATOM 0 HD12 LEU A 9 80.978 -2.882 -5.125 1.00 0.00 H new ATOM 0 HD13 LEU A 9 79.419 -2.023 -5.149 1.00 0.00 H new ATOM 0 HD21 LEU A 9 77.642 -4.473 -5.621 1.00 0.00 H new ATOM 0 HD22 LEU A 9 77.507 -2.934 -6.505 1.00 0.00 H new ATOM 0 HD23 LEU A 9 77.703 -4.460 -7.400 1.00 0.00 H new ATOM 140 N ASP A 10 82.275 -4.717 -8.875 1.00 0.00 N ATOM 141 CA ASP A 10 82.980 -6.017 -8.982 1.00 0.00 C ATOM 142 C ASP A 10 84.468 -5.778 -8.713 1.00 0.00 C ATOM 143 O ASP A 10 85.143 -6.605 -8.136 1.00 0.00 O ATOM 144 CB ASP A 10 82.789 -6.618 -10.378 1.00 0.00 C ATOM 145 CG ASP A 10 81.332 -7.053 -10.550 1.00 0.00 C ATOM 146 OD1 ASP A 10 80.694 -7.331 -9.548 1.00 0.00 O ATOM 147 OD2 ASP A 10 80.878 -7.095 -11.682 1.00 0.00 O ATOM 0 H ASP A 10 81.898 -4.349 -9.748 1.00 0.00 H new ATOM 0 HA ASP A 10 82.572 -6.719 -8.255 1.00 0.00 H new ATOM 0 HB2 ASP A 10 83.054 -5.885 -11.141 1.00 0.00 H new ATOM 0 HB3 ASP A 10 83.453 -7.472 -10.512 1.00 0.00 H new ATOM 152 N VAL A 11 84.991 -4.647 -9.127 1.00 0.00 N ATOM 153 CA VAL A 11 86.440 -4.376 -8.882 1.00 0.00 C ATOM 154 C VAL A 11 86.697 -4.393 -7.370 1.00 0.00 C ATOM 155 O VAL A 11 87.684 -4.928 -6.905 1.00 0.00 O ATOM 156 CB VAL A 11 86.818 -2.997 -9.447 1.00 0.00 C ATOM 157 CG1 VAL A 11 88.231 -2.615 -8.998 1.00 0.00 C ATOM 158 CG2 VAL A 11 86.755 -3.027 -10.978 1.00 0.00 C ATOM 0 H VAL A 11 84.483 -3.910 -9.617 1.00 0.00 H new ATOM 0 HA VAL A 11 87.043 -5.139 -9.374 1.00 0.00 H new ATOM 0 HB VAL A 11 86.112 -2.256 -9.071 1.00 0.00 H new ATOM 0 HG11 VAL A 11 88.490 -1.637 -9.403 1.00 0.00 H new ATOM 0 HG12 VAL A 11 88.269 -2.578 -7.909 1.00 0.00 H new ATOM 0 HG13 VAL A 11 88.941 -3.358 -9.361 1.00 0.00 H new ATOM 0 HG21 VAL A 11 87.024 -2.047 -11.372 1.00 0.00 H new ATOM 0 HG22 VAL A 11 87.453 -3.774 -11.356 1.00 0.00 H new ATOM 0 HG23 VAL A 11 85.744 -3.281 -11.296 1.00 0.00 H new ATOM 168 N MET A 12 85.807 -3.826 -6.598 1.00 0.00 N ATOM 169 CA MET A 12 85.994 -3.828 -5.118 1.00 0.00 C ATOM 170 C MET A 12 86.028 -5.274 -4.619 1.00 0.00 C ATOM 171 O MET A 12 86.826 -5.642 -3.782 1.00 0.00 O ATOM 172 CB MET A 12 84.814 -3.111 -4.460 1.00 0.00 C ATOM 173 CG MET A 12 84.895 -1.606 -4.731 1.00 0.00 C ATOM 174 SD MET A 12 83.264 -0.861 -4.478 1.00 0.00 S ATOM 175 CE MET A 12 82.887 -1.637 -2.887 1.00 0.00 C ATOM 0 H MET A 12 84.960 -3.363 -6.928 1.00 0.00 H new ATOM 0 HA MET A 12 86.926 -3.322 -4.867 1.00 0.00 H new ATOM 0 HB2 MET A 12 83.876 -3.508 -4.847 1.00 0.00 H new ATOM 0 HB3 MET A 12 84.819 -3.296 -3.386 1.00 0.00 H new ATOM 0 HG2 MET A 12 85.625 -1.144 -4.066 1.00 0.00 H new ATOM 0 HG3 MET A 12 85.235 -1.427 -5.751 1.00 0.00 H new ATOM 0 HE1 MET A 12 82.136 -1.046 -2.363 1.00 0.00 H new ATOM 0 HE2 MET A 12 82.504 -2.644 -3.055 1.00 0.00 H new ATOM 0 HE3 MET A 12 83.793 -1.689 -2.284 1.00 0.00 H new ATOM 185 N VAL A 13 85.140 -6.088 -5.119 1.00 0.00 N ATOM 186 CA VAL A 13 85.084 -7.511 -4.679 1.00 0.00 C ATOM 187 C VAL A 13 86.150 -8.348 -5.398 1.00 0.00 C ATOM 188 O VAL A 13 86.788 -9.193 -4.802 1.00 0.00 O ATOM 189 CB VAL A 13 83.694 -8.062 -4.993 1.00 0.00 C ATOM 190 CG1 VAL A 13 83.573 -9.503 -4.484 1.00 0.00 C ATOM 191 CG2 VAL A 13 82.651 -7.181 -4.305 1.00 0.00 C ATOM 0 H VAL A 13 84.445 -5.827 -5.819 1.00 0.00 H new ATOM 0 HA VAL A 13 85.280 -7.565 -3.608 1.00 0.00 H new ATOM 0 HB VAL A 13 83.532 -8.059 -6.071 1.00 0.00 H new ATOM 0 HG11 VAL A 13 82.579 -9.887 -4.712 1.00 0.00 H new ATOM 0 HG12 VAL A 13 84.323 -10.125 -4.972 1.00 0.00 H new ATOM 0 HG13 VAL A 13 83.731 -9.522 -3.406 1.00 0.00 H new ATOM 0 HG21 VAL A 13 81.653 -7.563 -4.521 1.00 0.00 H new ATOM 0 HG22 VAL A 13 82.819 -7.192 -3.228 1.00 0.00 H new ATOM 0 HG23 VAL A 13 82.736 -6.159 -4.675 1.00 0.00 H new ATOM 201 N SER A 14 86.335 -8.139 -6.675 1.00 0.00 N ATOM 202 CA SER A 14 87.346 -8.947 -7.421 1.00 0.00 C ATOM 203 C SER A 14 88.737 -8.742 -6.819 1.00 0.00 C ATOM 204 O SER A 14 89.472 -9.684 -6.598 1.00 0.00 O ATOM 205 CB SER A 14 87.363 -8.513 -8.886 1.00 0.00 C ATOM 206 OG SER A 14 86.099 -8.793 -9.473 1.00 0.00 O ATOM 0 H SER A 14 85.833 -7.448 -7.232 1.00 0.00 H new ATOM 0 HA SER A 14 87.078 -10.001 -7.349 1.00 0.00 H new ATOM 0 HB2 SER A 14 87.583 -7.448 -8.959 1.00 0.00 H new ATOM 0 HB3 SER A 14 88.151 -9.039 -9.424 1.00 0.00 H new ATOM 0 HG SER A 14 85.445 -8.128 -9.173 1.00 0.00 H new ATOM 212 N THR A 15 89.105 -7.522 -6.547 1.00 0.00 N ATOM 213 CA THR A 15 90.449 -7.267 -5.957 1.00 0.00 C ATOM 214 C THR A 15 90.506 -7.867 -4.551 1.00 0.00 C ATOM 215 O THR A 15 91.494 -8.436 -4.142 1.00 0.00 O ATOM 216 CB THR A 15 90.696 -5.753 -5.911 1.00 0.00 C ATOM 217 OG1 THR A 15 92.091 -5.502 -5.827 1.00 0.00 O ATOM 218 CG2 THR A 15 89.985 -5.120 -4.709 1.00 0.00 C ATOM 0 H THR A 15 88.535 -6.691 -6.707 1.00 0.00 H new ATOM 0 HA THR A 15 91.224 -7.733 -6.566 1.00 0.00 H new ATOM 0 HB THR A 15 90.295 -5.308 -6.822 1.00 0.00 H new ATOM 0 HG1 THR A 15 92.248 -4.535 -5.799 1.00 0.00 H new ATOM 0 HG21 THR A 15 90.175 -4.047 -4.698 1.00 0.00 H new ATOM 0 HG22 THR A 15 88.912 -5.298 -4.786 1.00 0.00 H new ATOM 0 HG23 THR A 15 90.362 -5.565 -3.788 1.00 0.00 H new ATOM 226 N PHE A 16 89.439 -7.731 -3.823 1.00 0.00 N ATOM 227 CA PHE A 16 89.385 -8.266 -2.426 1.00 0.00 C ATOM 228 C PHE A 16 89.606 -9.780 -2.427 1.00 0.00 C ATOM 229 O PHE A 16 90.287 -10.317 -1.576 1.00 0.00 O ATOM 230 CB PHE A 16 87.998 -7.952 -1.850 1.00 0.00 C ATOM 231 CG PHE A 16 87.867 -8.483 -0.441 1.00 0.00 C ATOM 232 CD1 PHE A 16 87.458 -9.806 -0.233 1.00 0.00 C ATOM 233 CD2 PHE A 16 88.136 -7.654 0.655 1.00 0.00 C ATOM 234 CE1 PHE A 16 87.321 -10.301 1.068 1.00 0.00 C ATOM 235 CE2 PHE A 16 87.995 -8.148 1.958 1.00 0.00 C ATOM 236 CZ PHE A 16 87.588 -9.473 2.164 1.00 0.00 C ATOM 0 H PHE A 16 88.586 -7.266 -4.135 1.00 0.00 H new ATOM 0 HA PHE A 16 90.167 -7.804 -1.823 1.00 0.00 H new ATOM 0 HB2 PHE A 16 87.834 -6.874 -1.854 1.00 0.00 H new ATOM 0 HB3 PHE A 16 87.228 -8.394 -2.483 1.00 0.00 H new ATOM 0 HD1 PHE A 16 87.248 -10.445 -1.078 1.00 0.00 H new ATOM 0 HD2 PHE A 16 88.452 -6.634 0.496 1.00 0.00 H new ATOM 0 HE1 PHE A 16 87.009 -11.323 1.227 1.00 0.00 H new ATOM 0 HE2 PHE A 16 88.200 -7.508 2.804 1.00 0.00 H new ATOM 0 HZ PHE A 16 87.480 -9.855 3.168 1.00 0.00 H new ATOM 246 N HIS A 17 89.047 -10.467 -3.373 1.00 0.00 N ATOM 247 CA HIS A 17 89.229 -11.942 -3.437 1.00 0.00 C ATOM 248 C HIS A 17 90.711 -12.273 -3.616 1.00 0.00 C ATOM 249 O HIS A 17 91.214 -13.226 -3.055 1.00 0.00 O ATOM 250 CB HIS A 17 88.426 -12.515 -4.608 1.00 0.00 C ATOM 251 CG HIS A 17 86.965 -12.534 -4.249 1.00 0.00 C ATOM 252 ND1 HIS A 17 86.501 -13.111 -3.074 1.00 0.00 N ATOM 253 CD2 HIS A 17 85.853 -12.054 -4.896 1.00 0.00 C ATOM 254 CE1 HIS A 17 85.164 -12.965 -3.051 1.00 0.00 C ATOM 255 NE2 HIS A 17 84.721 -12.327 -4.135 1.00 0.00 N ATOM 0 H HIS A 17 88.467 -10.071 -4.112 1.00 0.00 H new ATOM 0 HA HIS A 17 88.872 -12.386 -2.508 1.00 0.00 H new ATOM 0 HB2 HIS A 17 88.584 -11.912 -5.502 1.00 0.00 H new ATOM 0 HB3 HIS A 17 88.768 -13.524 -4.839 1.00 0.00 H new ATOM 0 HD1 HIS A 17 87.070 -13.563 -2.359 1.00 0.00 H new ATOM 0 HD2 HIS A 17 85.857 -11.544 -5.848 1.00 0.00 H new ATOM 0 HE1 HIS A 17 84.528 -13.320 -2.254 1.00 0.00 H new ATOM 264 N LYS A 18 91.412 -11.502 -4.401 1.00 0.00 N ATOM 265 CA LYS A 18 92.859 -11.794 -4.621 1.00 0.00 C ATOM 266 C LYS A 18 93.601 -11.739 -3.284 1.00 0.00 C ATOM 267 O LYS A 18 94.407 -12.595 -2.979 1.00 0.00 O ATOM 268 CB LYS A 18 93.441 -10.752 -5.585 1.00 0.00 C ATOM 269 CG LYS A 18 94.936 -11.011 -5.843 1.00 0.00 C ATOM 270 CD LYS A 18 95.146 -12.389 -6.490 1.00 0.00 C ATOM 271 CE LYS A 18 96.515 -12.435 -7.178 1.00 0.00 C ATOM 272 NZ LYS A 18 96.438 -11.734 -8.492 1.00 0.00 N ATOM 0 H LYS A 18 91.050 -10.688 -4.897 1.00 0.00 H new ATOM 0 HA LYS A 18 92.974 -12.789 -5.050 1.00 0.00 H new ATOM 0 HB2 LYS A 18 92.896 -10.780 -6.528 1.00 0.00 H new ATOM 0 HB3 LYS A 18 93.308 -9.753 -5.169 1.00 0.00 H new ATOM 0 HG2 LYS A 18 95.338 -10.234 -6.493 1.00 0.00 H new ATOM 0 HG3 LYS A 18 95.487 -10.957 -4.904 1.00 0.00 H new ATOM 0 HD2 LYS A 18 95.083 -13.170 -5.733 1.00 0.00 H new ATOM 0 HD3 LYS A 18 94.357 -12.584 -7.216 1.00 0.00 H new ATOM 0 HE2 LYS A 18 97.267 -11.963 -6.546 1.00 0.00 H new ATOM 0 HE3 LYS A 18 96.825 -13.470 -7.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 97.054 -12.214 -9.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 95.457 -11.750 -8.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 96.749 -10.748 -8.378 1.00 0.00 H new ATOM 286 N TYR A 19 93.327 -10.755 -2.475 1.00 0.00 N ATOM 287 CA TYR A 19 94.019 -10.680 -1.153 1.00 0.00 C ATOM 288 C TYR A 19 93.510 -11.802 -0.248 1.00 0.00 C ATOM 289 O TYR A 19 94.259 -12.414 0.485 1.00 0.00 O ATOM 290 CB TYR A 19 93.754 -9.329 -0.486 1.00 0.00 C ATOM 291 CG TYR A 19 94.480 -8.236 -1.237 1.00 0.00 C ATOM 292 CD1 TYR A 19 95.831 -7.982 -0.969 1.00 0.00 C ATOM 293 CD2 TYR A 19 93.807 -7.485 -2.203 1.00 0.00 C ATOM 294 CE1 TYR A 19 96.506 -6.973 -1.668 1.00 0.00 C ATOM 295 CE2 TYR A 19 94.481 -6.477 -2.904 1.00 0.00 C ATOM 296 CZ TYR A 19 95.831 -6.220 -2.636 1.00 0.00 C ATOM 297 OH TYR A 19 96.496 -5.226 -3.324 1.00 0.00 O ATOM 0 H TYR A 19 92.662 -10.006 -2.666 1.00 0.00 H new ATOM 0 HA TYR A 19 95.092 -10.790 -1.311 1.00 0.00 H new ATOM 0 HB2 TYR A 19 92.684 -9.124 -0.472 1.00 0.00 H new ATOM 0 HB3 TYR A 19 94.088 -9.354 0.551 1.00 0.00 H new ATOM 0 HD1 TYR A 19 96.352 -8.564 -0.223 1.00 0.00 H new ATOM 0 HD2 TYR A 19 92.765 -7.682 -2.410 1.00 0.00 H new ATOM 0 HE1 TYR A 19 97.547 -6.776 -1.460 1.00 0.00 H new ATOM 0 HE2 TYR A 19 93.959 -5.898 -3.651 1.00 0.00 H new ATOM 0 HH TYR A 19 95.883 -4.801 -3.959 1.00 0.00 H new ATOM 307 N SER A 20 92.236 -12.069 -0.286 1.00 0.00 N ATOM 308 CA SER A 20 91.678 -13.140 0.581 1.00 0.00 C ATOM 309 C SER A 20 92.258 -14.491 0.149 1.00 0.00 C ATOM 310 O SER A 20 92.099 -15.490 0.821 1.00 0.00 O ATOM 311 CB SER A 20 90.147 -13.145 0.455 1.00 0.00 C ATOM 312 OG SER A 20 89.699 -11.825 0.175 1.00 0.00 O ATOM 0 H SER A 20 91.558 -11.592 -0.880 1.00 0.00 H new ATOM 0 HA SER A 20 91.945 -12.959 1.622 1.00 0.00 H new ATOM 0 HB2 SER A 20 89.837 -13.824 -0.340 1.00 0.00 H new ATOM 0 HB3 SER A 20 89.695 -13.508 1.378 1.00 0.00 H new ATOM 0 HG SER A 20 88.806 -11.694 0.558 1.00 0.00 H new ATOM 318 N GLY A 21 92.934 -14.525 -0.966 1.00 0.00 N ATOM 319 CA GLY A 21 93.525 -15.812 -1.435 1.00 0.00 C ATOM 320 C GLY A 21 94.830 -16.082 -0.683 1.00 0.00 C ATOM 321 O GLY A 21 95.371 -17.168 -0.728 1.00 0.00 O ATOM 0 H GLY A 21 93.103 -13.721 -1.571 1.00 0.00 H new ATOM 0 HA2 GLY A 21 92.822 -16.628 -1.269 1.00 0.00 H new ATOM 0 HA3 GLY A 21 93.714 -15.767 -2.508 1.00 0.00 H new ATOM 325 N LYS A 22 95.340 -15.098 0.002 1.00 0.00 N ATOM 326 CA LYS A 22 96.612 -15.288 0.754 1.00 0.00 C ATOM 327 C LYS A 22 96.379 -16.217 1.950 1.00 0.00 C ATOM 328 O LYS A 22 97.204 -17.052 2.268 1.00 0.00 O ATOM 329 CB LYS A 22 97.106 -13.930 1.250 1.00 0.00 C ATOM 330 CG LYS A 22 97.489 -13.063 0.049 1.00 0.00 C ATOM 331 CD LYS A 22 98.111 -11.745 0.526 1.00 0.00 C ATOM 332 CE LYS A 22 97.119 -10.973 1.404 1.00 0.00 C ATOM 333 NZ LYS A 22 97.202 -11.476 2.804 1.00 0.00 N ATOM 0 H LYS A 22 94.930 -14.167 0.074 1.00 0.00 H new ATOM 0 HA LYS A 22 97.358 -15.736 0.098 1.00 0.00 H new ATOM 0 HB2 LYS A 22 96.329 -13.439 1.835 1.00 0.00 H new ATOM 0 HB3 LYS A 22 97.965 -14.061 1.908 1.00 0.00 H new ATOM 0 HG2 LYS A 22 98.195 -13.599 -0.585 1.00 0.00 H new ATOM 0 HG3 LYS A 22 96.607 -12.859 -0.558 1.00 0.00 H new ATOM 0 HD2 LYS A 22 99.022 -11.948 1.088 1.00 0.00 H new ATOM 0 HD3 LYS A 22 98.395 -11.138 -0.333 1.00 0.00 H new ATOM 0 HE2 LYS A 22 97.344 -9.907 1.375 1.00 0.00 H new ATOM 0 HE3 LYS A 22 96.106 -11.096 1.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 96.276 -11.849 3.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 97.913 -12.233 2.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 97.475 -10.697 3.437 1.00 0.00 H new ATOM 347 N GLU A 23 95.265 -16.069 2.626 1.00 0.00 N ATOM 348 CA GLU A 23 94.967 -16.927 3.819 1.00 0.00 C ATOM 349 C GLU A 23 93.932 -17.996 3.451 1.00 0.00 C ATOM 350 O GLU A 23 93.405 -18.015 2.356 1.00 0.00 O ATOM 351 CB GLU A 23 94.425 -16.049 4.949 1.00 0.00 C ATOM 352 CG GLU A 23 93.165 -15.321 4.481 1.00 0.00 C ATOM 353 CD GLU A 23 92.660 -14.410 5.602 1.00 0.00 C ATOM 354 OE1 GLU A 23 93.110 -14.579 6.723 1.00 0.00 O ATOM 355 OE2 GLU A 23 91.836 -13.556 5.318 1.00 0.00 O ATOM 0 H GLU A 23 94.543 -15.385 2.401 1.00 0.00 H new ATOM 0 HA GLU A 23 95.882 -17.421 4.146 1.00 0.00 H new ATOM 0 HB2 GLU A 23 94.199 -16.662 5.821 1.00 0.00 H new ATOM 0 HB3 GLU A 23 95.181 -15.326 5.255 1.00 0.00 H new ATOM 0 HG2 GLU A 23 93.381 -14.733 3.589 1.00 0.00 H new ATOM 0 HG3 GLU A 23 92.395 -16.042 4.208 1.00 0.00 H new ATOM 362 N GLY A 24 93.659 -18.900 4.354 1.00 0.00 N ATOM 363 CA GLY A 24 92.681 -19.990 4.064 1.00 0.00 C ATOM 364 C GLY A 24 91.277 -19.422 3.834 1.00 0.00 C ATOM 365 O GLY A 24 90.554 -19.879 2.970 1.00 0.00 O ATOM 0 H GLY A 24 94.074 -18.931 5.285 1.00 0.00 H new ATOM 0 HA2 GLY A 24 93.001 -20.545 3.183 1.00 0.00 H new ATOM 0 HA3 GLY A 24 92.660 -20.695 4.895 1.00 0.00 H new ATOM 369 N ASP A 25 90.870 -18.442 4.597 1.00 0.00 N ATOM 370 CA ASP A 25 89.500 -17.881 4.403 1.00 0.00 C ATOM 371 C ASP A 25 89.524 -16.889 3.240 1.00 0.00 C ATOM 372 O ASP A 25 90.154 -15.852 3.309 1.00 0.00 O ATOM 373 CB ASP A 25 89.059 -17.167 5.683 1.00 0.00 C ATOM 374 CG ASP A 25 88.808 -18.203 6.781 1.00 0.00 C ATOM 375 OD1 ASP A 25 88.697 -19.372 6.451 1.00 0.00 O ATOM 376 OD2 ASP A 25 88.731 -17.810 7.934 1.00 0.00 O ATOM 0 H ASP A 25 91.420 -18.009 5.339 1.00 0.00 H new ATOM 0 HA ASP A 25 88.799 -18.685 4.180 1.00 0.00 H new ATOM 0 HB2 ASP A 25 89.826 -16.461 6.002 1.00 0.00 H new ATOM 0 HB3 ASP A 25 88.153 -16.590 5.497 1.00 0.00 H new ATOM 381 N LYS A 26 88.852 -17.207 2.164 1.00 0.00 N ATOM 382 CA LYS A 26 88.845 -16.293 0.983 1.00 0.00 C ATOM 383 C LYS A 26 87.694 -15.296 1.082 1.00 0.00 C ATOM 384 O LYS A 26 87.626 -14.342 0.332 1.00 0.00 O ATOM 385 CB LYS A 26 88.678 -17.115 -0.296 1.00 0.00 C ATOM 386 CG LYS A 26 89.872 -18.052 -0.469 1.00 0.00 C ATOM 387 CD LYS A 26 89.697 -18.871 -1.750 1.00 0.00 C ATOM 388 CE LYS A 26 90.892 -19.809 -1.924 1.00 0.00 C ATOM 389 NZ LYS A 26 90.834 -20.444 -3.270 1.00 0.00 N ATOM 0 H LYS A 26 88.307 -18.062 2.052 1.00 0.00 H new ATOM 0 HA LYS A 26 89.789 -15.748 0.962 1.00 0.00 H new ATOM 0 HB2 LYS A 26 87.755 -17.692 -0.250 1.00 0.00 H new ATOM 0 HB3 LYS A 26 88.597 -16.452 -1.157 1.00 0.00 H new ATOM 0 HG2 LYS A 26 90.796 -17.476 -0.517 1.00 0.00 H new ATOM 0 HG3 LYS A 26 89.954 -18.716 0.391 1.00 0.00 H new ATOM 0 HD2 LYS A 26 88.773 -19.447 -1.702 1.00 0.00 H new ATOM 0 HD3 LYS A 26 89.614 -18.207 -2.610 1.00 0.00 H new ATOM 0 HE2 LYS A 26 91.823 -19.253 -1.812 1.00 0.00 H new ATOM 0 HE3 LYS A 26 90.883 -20.575 -1.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 91.647 -21.082 -3.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 89.952 -20.987 -3.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 90.863 -19.707 -4.003 1.00 0.00 H new ATOM 403 N PHE A 27 86.780 -15.512 1.983 1.00 0.00 N ATOM 404 CA PHE A 27 85.621 -14.581 2.109 1.00 0.00 C ATOM 405 C PHE A 27 85.914 -13.539 3.191 1.00 0.00 C ATOM 406 O PHE A 27 85.098 -12.684 3.472 1.00 0.00 O ATOM 407 CB PHE A 27 84.383 -15.395 2.493 1.00 0.00 C ATOM 408 CG PHE A 27 84.371 -16.678 1.688 1.00 0.00 C ATOM 409 CD1 PHE A 27 84.423 -16.630 0.289 1.00 0.00 C ATOM 410 CD2 PHE A 27 84.321 -17.919 2.341 1.00 0.00 C ATOM 411 CE1 PHE A 27 84.423 -17.817 -0.454 1.00 0.00 C ATOM 412 CE2 PHE A 27 84.322 -19.104 1.597 1.00 0.00 C ATOM 413 CZ PHE A 27 84.373 -19.053 0.200 1.00 0.00 C ATOM 0 H PHE A 27 86.783 -16.293 2.639 1.00 0.00 H new ATOM 0 HA PHE A 27 85.448 -14.067 1.164 1.00 0.00 H new ATOM 0 HB2 PHE A 27 84.395 -15.619 3.560 1.00 0.00 H new ATOM 0 HB3 PHE A 27 83.478 -14.819 2.299 1.00 0.00 H new ATOM 0 HD1 PHE A 27 84.463 -15.677 -0.217 1.00 0.00 H new ATOM 0 HD2 PHE A 27 84.282 -17.960 3.420 1.00 0.00 H new ATOM 0 HE1 PHE A 27 84.462 -17.778 -1.533 1.00 0.00 H new ATOM 0 HE2 PHE A 27 84.283 -20.058 2.101 1.00 0.00 H new ATOM 0 HZ PHE A 27 84.374 -19.968 -0.374 1.00 0.00 H new ATOM 423 N LYS A 28 87.066 -13.609 3.814 1.00 0.00 N ATOM 424 CA LYS A 28 87.400 -12.622 4.894 1.00 0.00 C ATOM 425 C LYS A 28 88.871 -12.209 4.809 1.00 0.00 C ATOM 426 O LYS A 28 89.710 -12.954 4.342 1.00 0.00 O ATOM 427 CB LYS A 28 87.146 -13.271 6.255 1.00 0.00 C ATOM 428 CG LYS A 28 85.654 -13.564 6.401 1.00 0.00 C ATOM 429 CD LYS A 28 85.384 -14.212 7.755 1.00 0.00 C ATOM 430 CE LYS A 28 83.889 -14.492 7.875 1.00 0.00 C ATOM 431 NZ LYS A 28 83.619 -15.247 9.131 1.00 0.00 N ATOM 0 H LYS A 28 87.788 -14.304 3.624 1.00 0.00 H new ATOM 0 HA LYS A 28 86.776 -11.737 4.769 1.00 0.00 H new ATOM 0 HB2 LYS A 28 87.720 -14.193 6.344 1.00 0.00 H new ATOM 0 HB3 LYS A 28 87.479 -12.609 7.055 1.00 0.00 H new ATOM 0 HG2 LYS A 28 85.082 -12.641 6.309 1.00 0.00 H new ATOM 0 HG3 LYS A 28 85.324 -14.225 5.599 1.00 0.00 H new ATOM 0 HD2 LYS A 28 85.951 -15.138 7.850 1.00 0.00 H new ATOM 0 HD3 LYS A 28 85.711 -13.554 8.560 1.00 0.00 H new ATOM 0 HE2 LYS A 28 83.333 -13.555 7.876 1.00 0.00 H new ATOM 0 HE3 LYS A 28 83.546 -15.065 7.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 82.657 -15.640 9.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 84.307 -16.021 9.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 83.705 -14.607 9.946 1.00 0.00 H new ATOM 445 N LEU A 29 89.186 -11.026 5.285 1.00 0.00 N ATOM 446 CA LEU A 29 90.600 -10.536 5.275 1.00 0.00 C ATOM 447 C LEU A 29 91.022 -10.307 6.731 1.00 0.00 C ATOM 448 O LEU A 29 90.196 -10.126 7.603 1.00 0.00 O ATOM 449 CB LEU A 29 90.678 -9.207 4.478 1.00 0.00 C ATOM 450 CG LEU A 29 91.555 -9.356 3.227 1.00 0.00 C ATOM 451 CD1 LEU A 29 90.846 -10.232 2.188 1.00 0.00 C ATOM 452 CD2 LEU A 29 91.823 -7.970 2.632 1.00 0.00 C ATOM 0 H LEU A 29 88.513 -10.372 5.685 1.00 0.00 H new ATOM 0 HA LEU A 29 91.262 -11.261 4.802 1.00 0.00 H new ATOM 0 HB2 LEU A 29 89.675 -8.896 4.186 1.00 0.00 H new ATOM 0 HB3 LEU A 29 91.082 -8.421 5.116 1.00 0.00 H new ATOM 0 HG LEU A 29 92.498 -9.828 3.503 1.00 0.00 H new ATOM 0 HD11 LEU A 29 91.477 -10.331 1.305 1.00 0.00 H new ATOM 0 HD12 LEU A 29 90.657 -11.218 2.612 1.00 0.00 H new ATOM 0 HD13 LEU A 29 89.899 -9.770 1.908 1.00 0.00 H new ATOM 0 HD21 LEU A 29 92.446 -8.070 1.743 1.00 0.00 H new ATOM 0 HD22 LEU A 29 90.877 -7.501 2.362 1.00 0.00 H new ATOM 0 HD23 LEU A 29 92.337 -7.352 3.368 1.00 0.00 H new ATOM 464 N ASN A 30 92.298 -10.315 6.999 1.00 0.00 N ATOM 465 CA ASN A 30 92.778 -10.093 8.393 1.00 0.00 C ATOM 466 C ASN A 30 93.160 -8.617 8.559 1.00 0.00 C ATOM 467 O ASN A 30 93.747 -8.009 7.688 1.00 0.00 O ATOM 468 CB ASN A 30 94.013 -10.961 8.650 1.00 0.00 C ATOM 469 CG ASN A 30 93.630 -12.443 8.591 1.00 0.00 C ATOM 470 OD1 ASN A 30 92.373 -12.780 8.507 1.00 0.00 O flip ATOM 471 ND2 ASN A 30 94.487 -13.303 8.618 1.00 0.00 N flip ATOM 0 H ASN A 30 93.034 -10.467 6.309 1.00 0.00 H new ATOM 0 HA ASN A 30 91.991 -10.357 9.100 1.00 0.00 H new ATOM 0 HB2 ASN A 30 94.781 -10.745 7.907 1.00 0.00 H new ATOM 0 HB3 ASN A 30 94.438 -10.725 9.626 1.00 0.00 H new ATOM 0 HD21 ASN A 30 95.471 -13.041 8.684 1.00 0.00 H new ATOM 0 HD22 ASN A 30 94.223 -14.287 8.575 1.00 0.00 H new ATOM 478 N LYS A 31 92.816 -8.051 9.676 1.00 0.00 N ATOM 479 CA LYS A 31 93.123 -6.620 9.963 1.00 0.00 C ATOM 480 C LYS A 31 94.525 -6.261 9.468 1.00 0.00 C ATOM 481 O LYS A 31 94.794 -5.142 9.097 1.00 0.00 O ATOM 482 CB LYS A 31 93.055 -6.415 11.478 1.00 0.00 C ATOM 483 CG LYS A 31 93.952 -7.446 12.166 1.00 0.00 C ATOM 484 CD LYS A 31 93.892 -7.250 13.681 1.00 0.00 C ATOM 485 CE LYS A 31 94.797 -8.281 14.360 1.00 0.00 C ATOM 486 NZ LYS A 31 94.790 -8.057 15.833 1.00 0.00 N ATOM 0 H LYS A 31 92.320 -8.532 10.426 1.00 0.00 H new ATOM 0 HA LYS A 31 92.403 -5.982 9.451 1.00 0.00 H new ATOM 0 HB2 LYS A 31 93.377 -5.406 11.735 1.00 0.00 H new ATOM 0 HB3 LYS A 31 92.027 -6.520 11.825 1.00 0.00 H new ATOM 0 HG2 LYS A 31 93.629 -8.454 11.907 1.00 0.00 H new ATOM 0 HG3 LYS A 31 94.979 -7.340 11.816 1.00 0.00 H new ATOM 0 HD2 LYS A 31 94.211 -6.241 13.942 1.00 0.00 H new ATOM 0 HD3 LYS A 31 92.867 -7.361 14.033 1.00 0.00 H new ATOM 0 HE2 LYS A 31 94.451 -9.289 14.133 1.00 0.00 H new ATOM 0 HE3 LYS A 31 95.813 -8.199 13.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 95.405 -8.758 16.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 95.140 -7.100 16.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 93.820 -8.157 16.195 1.00 0.00 H new ATOM 500 N SER A 32 95.425 -7.184 9.447 1.00 0.00 N ATOM 501 CA SER A 32 96.781 -6.840 8.951 1.00 0.00 C ATOM 502 C SER A 32 96.673 -6.577 7.458 1.00 0.00 C ATOM 503 O SER A 32 97.270 -5.665 6.923 1.00 0.00 O ATOM 504 CB SER A 32 97.753 -7.980 9.184 1.00 0.00 C ATOM 505 OG SER A 32 97.838 -8.257 10.575 1.00 0.00 O ATOM 0 H SER A 32 95.291 -8.150 9.745 1.00 0.00 H new ATOM 0 HA SER A 32 97.152 -5.965 9.485 1.00 0.00 H new ATOM 0 HB2 SER A 32 97.423 -8.868 8.646 1.00 0.00 H new ATOM 0 HB3 SER A 32 98.737 -7.718 8.794 1.00 0.00 H new ATOM 0 HG SER A 32 98.465 -8.995 10.724 1.00 0.00 H new ATOM 511 N GLU A 33 95.888 -7.372 6.787 1.00 0.00 N ATOM 512 CA GLU A 33 95.705 -7.174 5.329 1.00 0.00 C ATOM 513 C GLU A 33 95.083 -5.820 5.119 1.00 0.00 C ATOM 514 O GLU A 33 95.269 -5.204 4.100 1.00 0.00 O ATOM 515 CB GLU A 33 94.832 -8.290 4.750 1.00 0.00 C ATOM 516 CG GLU A 33 95.627 -9.598 4.770 1.00 0.00 C ATOM 517 CD GLU A 33 94.761 -10.748 4.256 1.00 0.00 C ATOM 518 OE1 GLU A 33 94.057 -11.337 5.058 1.00 0.00 O ATOM 519 OE2 GLU A 33 94.816 -11.020 3.067 1.00 0.00 O ATOM 0 H GLU A 33 95.366 -8.151 7.189 1.00 0.00 H new ATOM 0 HA GLU A 33 96.663 -7.215 4.811 1.00 0.00 H new ATOM 0 HB2 GLU A 33 93.917 -8.395 5.334 1.00 0.00 H new ATOM 0 HB3 GLU A 33 94.533 -8.045 3.731 1.00 0.00 H new ATOM 0 HG2 GLU A 33 96.519 -9.500 4.151 1.00 0.00 H new ATOM 0 HG3 GLU A 33 95.964 -9.812 5.784 1.00 0.00 H new ATOM 526 N LEU A 34 94.386 -5.314 6.085 1.00 0.00 N ATOM 527 CA LEU A 34 93.830 -3.954 5.897 1.00 0.00 C ATOM 528 C LEU A 34 95.016 -3.023 5.672 1.00 0.00 C ATOM 529 O LEU A 34 94.978 -2.144 4.833 1.00 0.00 O ATOM 530 CB LEU A 34 93.016 -3.533 7.137 1.00 0.00 C ATOM 531 CG LEU A 34 92.528 -2.067 7.047 1.00 0.00 C ATOM 532 CD1 LEU A 34 93.693 -1.063 7.292 1.00 0.00 C ATOM 533 CD2 LEU A 34 91.889 -1.823 5.677 1.00 0.00 C ATOM 0 H LEU A 34 94.179 -5.767 6.975 1.00 0.00 H new ATOM 0 HA LEU A 34 93.150 -3.917 5.046 1.00 0.00 H new ATOM 0 HB2 LEU A 34 92.156 -4.194 7.247 1.00 0.00 H new ATOM 0 HB3 LEU A 34 93.628 -3.656 8.030 1.00 0.00 H new ATOM 0 HG LEU A 34 91.785 -1.902 7.828 1.00 0.00 H new ATOM 0 HD11 LEU A 34 93.315 -0.043 7.222 1.00 0.00 H new ATOM 0 HD12 LEU A 34 94.112 -1.227 8.285 1.00 0.00 H new ATOM 0 HD13 LEU A 34 94.468 -1.215 6.541 1.00 0.00 H new ATOM 0 HD21 LEU A 34 91.546 -0.790 5.614 1.00 0.00 H new ATOM 0 HD22 LEU A 34 92.624 -2.009 4.894 1.00 0.00 H new ATOM 0 HD23 LEU A 34 91.042 -2.496 5.546 1.00 0.00 H new ATOM 545 N LYS A 35 96.088 -3.225 6.399 1.00 0.00 N ATOM 546 CA LYS A 35 97.278 -2.360 6.196 1.00 0.00 C ATOM 547 C LYS A 35 97.967 -2.731 4.880 1.00 0.00 C ATOM 548 O LYS A 35 98.242 -1.884 4.053 1.00 0.00 O ATOM 549 CB LYS A 35 98.247 -2.568 7.359 1.00 0.00 C ATOM 550 CG LYS A 35 99.425 -1.601 7.242 1.00 0.00 C ATOM 551 CD LYS A 35 100.399 -1.867 8.391 1.00 0.00 C ATOM 552 CE LYS A 35 101.562 -0.881 8.316 1.00 0.00 C ATOM 553 NZ LYS A 35 102.321 -1.100 7.050 1.00 0.00 N ATOM 0 H LYS A 35 96.185 -3.945 7.115 1.00 0.00 H new ATOM 0 HA LYS A 35 96.970 -1.315 6.154 1.00 0.00 H new ATOM 0 HB2 LYS A 35 97.730 -2.410 8.306 1.00 0.00 H new ATOM 0 HB3 LYS A 35 98.609 -3.596 7.361 1.00 0.00 H new ATOM 0 HG2 LYS A 35 99.927 -1.733 6.284 1.00 0.00 H new ATOM 0 HG3 LYS A 35 99.072 -0.570 7.278 1.00 0.00 H new ATOM 0 HD2 LYS A 35 99.885 -1.767 9.347 1.00 0.00 H new ATOM 0 HD3 LYS A 35 100.772 -2.890 8.335 1.00 0.00 H new ATOM 0 HE2 LYS A 35 101.188 0.142 8.356 1.00 0.00 H new ATOM 0 HE3 LYS A 35 102.220 -1.013 9.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 103.262 -0.663 7.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 102.426 -2.121 6.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 101.805 -0.669 6.257 1.00 0.00 H new ATOM 567 N GLU A 36 98.255 -3.989 4.680 1.00 0.00 N ATOM 568 CA GLU A 36 98.933 -4.401 3.419 1.00 0.00 C ATOM 569 C GLU A 36 98.002 -4.190 2.231 1.00 0.00 C ATOM 570 O GLU A 36 98.425 -3.759 1.176 1.00 0.00 O ATOM 571 CB GLU A 36 99.350 -5.871 3.488 1.00 0.00 C ATOM 572 CG GLU A 36 100.042 -6.260 2.180 1.00 0.00 C ATOM 573 CD GLU A 36 100.651 -7.657 2.318 1.00 0.00 C ATOM 574 OE1 GLU A 36 100.599 -8.200 3.409 1.00 0.00 O ATOM 575 OE2 GLU A 36 101.163 -8.159 1.330 1.00 0.00 O ATOM 0 H GLU A 36 98.051 -4.746 5.333 1.00 0.00 H new ATOM 0 HA GLU A 36 99.825 -3.787 3.293 1.00 0.00 H new ATOM 0 HB2 GLU A 36 100.022 -6.031 4.331 1.00 0.00 H new ATOM 0 HB3 GLU A 36 98.476 -6.502 3.653 1.00 0.00 H new ATOM 0 HG2 GLU A 36 99.325 -6.244 1.359 1.00 0.00 H new ATOM 0 HG3 GLU A 36 100.820 -5.535 1.939 1.00 0.00 H new ATOM 582 N LEU A 37 96.741 -4.488 2.376 1.00 0.00 N ATOM 583 CA LEU A 37 95.823 -4.290 1.230 1.00 0.00 C ATOM 584 C LEU A 37 95.840 -2.828 0.841 1.00 0.00 C ATOM 585 O LEU A 37 95.817 -2.488 -0.326 1.00 0.00 O ATOM 586 CB LEU A 37 94.394 -4.701 1.615 1.00 0.00 C ATOM 587 CG LEU A 37 93.426 -4.483 0.417 1.00 0.00 C ATOM 588 CD1 LEU A 37 92.349 -5.573 0.408 1.00 0.00 C ATOM 589 CD2 LEU A 37 92.731 -3.106 0.515 1.00 0.00 C ATOM 0 H LEU A 37 96.315 -4.855 3.227 1.00 0.00 H new ATOM 0 HA LEU A 37 96.150 -4.907 0.393 1.00 0.00 H new ATOM 0 HB2 LEU A 37 94.379 -5.748 1.917 1.00 0.00 H new ATOM 0 HB3 LEU A 37 94.059 -4.117 2.472 1.00 0.00 H new ATOM 0 HG LEU A 37 94.014 -4.527 -0.500 1.00 0.00 H new ATOM 0 HD11 LEU A 37 91.676 -5.412 -0.434 1.00 0.00 H new ATOM 0 HD12 LEU A 37 92.822 -6.551 0.313 1.00 0.00 H new ATOM 0 HD13 LEU A 37 91.782 -5.532 1.338 1.00 0.00 H new ATOM 0 HD21 LEU A 37 92.059 -2.976 -0.333 1.00 0.00 H new ATOM 0 HD22 LEU A 37 92.160 -3.052 1.442 1.00 0.00 H new ATOM 0 HD23 LEU A 37 93.483 -2.317 0.506 1.00 0.00 H new ATOM 601 N LEU A 38 95.868 -1.950 1.799 1.00 0.00 N ATOM 602 CA LEU A 38 95.873 -0.497 1.426 1.00 0.00 C ATOM 603 C LEU A 38 97.226 -0.087 0.873 1.00 0.00 C ATOM 604 O LEU A 38 97.312 0.659 -0.081 1.00 0.00 O ATOM 605 CB LEU A 38 95.529 0.382 2.627 1.00 0.00 C ATOM 606 CG LEU A 38 94.049 0.220 2.998 1.00 0.00 C ATOM 607 CD1 LEU A 38 93.745 1.049 4.260 1.00 0.00 C ATOM 608 CD2 LEU A 38 93.152 0.698 1.831 1.00 0.00 C ATOM 0 H LEU A 38 95.887 -2.157 2.798 1.00 0.00 H new ATOM 0 HA LEU A 38 95.113 -0.356 0.657 1.00 0.00 H new ATOM 0 HB2 LEU A 38 96.156 0.111 3.476 1.00 0.00 H new ATOM 0 HB3 LEU A 38 95.741 1.426 2.395 1.00 0.00 H new ATOM 0 HG LEU A 38 93.842 -0.832 3.193 1.00 0.00 H new ATOM 0 HD11 LEU A 38 92.694 0.935 4.525 1.00 0.00 H new ATOM 0 HD12 LEU A 38 94.367 0.699 5.084 1.00 0.00 H new ATOM 0 HD13 LEU A 38 93.958 2.100 4.065 1.00 0.00 H new ATOM 0 HD21 LEU A 38 92.104 0.578 2.105 1.00 0.00 H new ATOM 0 HD22 LEU A 38 93.355 1.748 1.623 1.00 0.00 H new ATOM 0 HD23 LEU A 38 93.364 0.104 0.942 1.00 0.00 H new ATOM 620 N THR A 39 98.283 -0.556 1.449 1.00 0.00 N ATOM 621 CA THR A 39 99.612 -0.170 0.929 1.00 0.00 C ATOM 622 C THR A 39 99.784 -0.759 -0.467 1.00 0.00 C ATOM 623 O THR A 39 100.558 -0.271 -1.268 1.00 0.00 O ATOM 624 CB THR A 39 100.709 -0.694 1.853 1.00 0.00 C ATOM 625 OG1 THR A 39 100.405 -0.346 3.197 1.00 0.00 O ATOM 626 CG2 THR A 39 102.032 -0.056 1.445 1.00 0.00 C ATOM 0 H THR A 39 98.288 -1.185 2.252 1.00 0.00 H new ATOM 0 HA THR A 39 99.686 0.917 0.884 1.00 0.00 H new ATOM 0 HB THR A 39 100.778 -1.779 1.774 1.00 0.00 H new ATOM 0 HG1 THR A 39 99.709 -0.944 3.540 1.00 0.00 H new ATOM 0 HG21 THR A 39 102.827 -0.420 2.096 1.00 0.00 H new ATOM 0 HG22 THR A 39 102.259 -0.319 0.412 1.00 0.00 H new ATOM 0 HG23 THR A 39 101.957 1.028 1.535 1.00 0.00 H new ATOM 634 N ARG A 40 99.069 -1.813 -0.767 1.00 0.00 N ATOM 635 CA ARG A 40 99.189 -2.447 -2.114 1.00 0.00 C ATOM 636 C ARG A 40 98.119 -1.886 -3.047 1.00 0.00 C ATOM 637 O ARG A 40 98.241 -1.976 -4.253 1.00 0.00 O ATOM 638 CB ARG A 40 99.007 -3.965 -1.988 1.00 0.00 C ATOM 639 CG ARG A 40 100.143 -4.574 -1.148 1.00 0.00 C ATOM 640 CD ARG A 40 101.450 -4.653 -1.956 1.00 0.00 C ATOM 641 NE ARG A 40 101.193 -5.253 -3.310 1.00 0.00 N ATOM 642 CZ ARG A 40 100.653 -6.435 -3.448 1.00 0.00 C ATOM 643 NH1 ARG A 40 100.474 -7.206 -2.412 1.00 0.00 N ATOM 644 NH2 ARG A 40 100.340 -6.868 -4.639 1.00 0.00 N ATOM 0 H ARG A 40 98.406 -2.263 -0.136 1.00 0.00 H new ATOM 0 HA ARG A 40 100.176 -2.230 -2.523 1.00 0.00 H new ATOM 0 HB2 ARG A 40 98.045 -4.185 -1.524 1.00 0.00 H new ATOM 0 HB3 ARG A 40 98.995 -4.420 -2.979 1.00 0.00 H new ATOM 0 HG2 ARG A 40 100.301 -3.971 -0.254 1.00 0.00 H new ATOM 0 HG3 ARG A 40 99.858 -5.572 -0.814 1.00 0.00 H new ATOM 0 HD2 ARG A 40 101.877 -3.656 -2.068 1.00 0.00 H new ATOM 0 HD3 ARG A 40 102.182 -5.255 -1.418 1.00 0.00 H new ATOM 0 HE ARG A 40 101.447 -4.723 -4.144 1.00 0.00 H new ATOM 0 HH11 ARG A 40 100.756 -6.888 -1.485 1.00 0.00 H new ATOM 0 HH12 ARG A 40 100.052 -8.127 -2.529 1.00 0.00 H new ATOM 0 HH21 ARG A 40 100.517 -6.284 -5.457 1.00 0.00 H new ATOM 0 HH22 ARG A 40 99.918 -7.790 -4.752 1.00 0.00 H new ATOM 658 N GLU A 41 97.073 -1.305 -2.510 1.00 0.00 N ATOM 659 CA GLU A 41 96.000 -0.735 -3.387 1.00 0.00 C ATOM 660 C GLU A 41 96.083 0.771 -3.361 1.00 0.00 C ATOM 661 O GLU A 41 95.749 1.431 -4.323 1.00 0.00 O ATOM 662 CB GLU A 41 94.622 -1.159 -2.878 1.00 0.00 C ATOM 663 CG GLU A 41 94.433 -2.663 -3.067 1.00 0.00 C ATOM 664 CD GLU A 41 93.049 -3.060 -2.554 1.00 0.00 C ATOM 665 OE1 GLU A 41 92.289 -2.168 -2.216 1.00 0.00 O ATOM 666 OE2 GLU A 41 92.771 -4.245 -2.508 1.00 0.00 O ATOM 0 H GLU A 41 96.916 -1.201 -1.508 1.00 0.00 H new ATOM 0 HA GLU A 41 96.141 -1.105 -4.403 1.00 0.00 H new ATOM 0 HB2 GLU A 41 94.520 -0.901 -1.824 1.00 0.00 H new ATOM 0 HB3 GLU A 41 93.844 -0.616 -3.415 1.00 0.00 H new ATOM 0 HG2 GLU A 41 94.533 -2.925 -4.120 1.00 0.00 H new ATOM 0 HG3 GLU A 41 95.206 -3.210 -2.527 1.00 0.00 H new ATOM 673 N LEU A 42 96.534 1.328 -2.273 1.00 0.00 N ATOM 674 CA LEU A 42 96.645 2.812 -2.189 1.00 0.00 C ATOM 675 C LEU A 42 97.940 3.184 -1.442 1.00 0.00 C ATOM 676 O LEU A 42 97.929 3.318 -0.237 1.00 0.00 O ATOM 677 CB LEU A 42 95.443 3.386 -1.420 1.00 0.00 C ATOM 678 CG LEU A 42 94.126 3.111 -2.169 1.00 0.00 C ATOM 679 CD1 LEU A 42 92.945 3.487 -1.269 1.00 0.00 C ATOM 680 CD2 LEU A 42 94.056 3.945 -3.461 1.00 0.00 C ATOM 0 H LEU A 42 96.830 0.822 -1.439 1.00 0.00 H new ATOM 0 HA LEU A 42 96.662 3.226 -3.197 1.00 0.00 H new ATOM 0 HB2 LEU A 42 95.399 2.944 -0.425 1.00 0.00 H new ATOM 0 HB3 LEU A 42 95.572 4.460 -1.286 1.00 0.00 H new ATOM 0 HG LEU A 42 94.084 2.053 -2.426 1.00 0.00 H new ATOM 0 HD11 LEU A 42 92.010 3.294 -1.796 1.00 0.00 H new ATOM 0 HD12 LEU A 42 92.978 2.890 -0.357 1.00 0.00 H new ATOM 0 HD13 LEU A 42 93.005 4.545 -1.013 1.00 0.00 H new ATOM 0 HD21 LEU A 42 93.119 3.738 -3.977 1.00 0.00 H new ATOM 0 HD22 LEU A 42 94.107 5.005 -3.213 1.00 0.00 H new ATOM 0 HD23 LEU A 42 94.893 3.683 -4.109 1.00 0.00 H new ATOM 692 N PRO A 43 99.056 3.343 -2.122 1.00 0.00 N ATOM 693 CA PRO A 43 100.319 3.700 -1.419 1.00 0.00 C ATOM 694 C PRO A 43 100.301 5.157 -0.911 1.00 0.00 C ATOM 695 O PRO A 43 99.889 5.425 0.200 1.00 0.00 O ATOM 696 CB PRO A 43 101.387 3.467 -2.509 1.00 0.00 C ATOM 697 CG PRO A 43 100.667 3.249 -3.858 1.00 0.00 C ATOM 698 CD PRO A 43 99.148 3.179 -3.601 1.00 0.00 C ATOM 0 HA PRO A 43 100.497 3.113 -0.518 1.00 0.00 H new ATOM 0 HB2 PRO A 43 102.058 4.323 -2.571 1.00 0.00 H new ATOM 0 HB3 PRO A 43 101.999 2.600 -2.261 1.00 0.00 H new ATOM 0 HG2 PRO A 43 100.897 4.063 -4.545 1.00 0.00 H new ATOM 0 HG3 PRO A 43 101.014 2.328 -4.327 1.00 0.00 H new ATOM 0 HD2 PRO A 43 98.612 3.967 -4.130 1.00 0.00 H new ATOM 0 HD3 PRO A 43 98.725 2.230 -3.930 1.00 0.00 H new ATOM 706 N SER A 44 100.748 6.093 -1.707 1.00 0.00 N ATOM 707 CA SER A 44 100.754 7.516 -1.254 1.00 0.00 C ATOM 708 C SER A 44 99.319 8.053 -1.164 1.00 0.00 C ATOM 709 O SER A 44 98.963 8.728 -0.223 1.00 0.00 O ATOM 710 CB SER A 44 101.548 8.361 -2.251 1.00 0.00 C ATOM 711 OG SER A 44 101.577 9.710 -1.805 1.00 0.00 O ATOM 0 H SER A 44 101.108 5.935 -2.648 1.00 0.00 H new ATOM 0 HA SER A 44 101.216 7.571 -0.268 1.00 0.00 H new ATOM 0 HB2 SER A 44 102.563 7.975 -2.345 1.00 0.00 H new ATOM 0 HB3 SER A 44 101.092 8.302 -3.239 1.00 0.00 H new ATOM 0 HG SER A 44 102.087 10.254 -2.441 1.00 0.00 H new ATOM 717 N PHE A 45 98.503 7.754 -2.139 1.00 0.00 N ATOM 718 CA PHE A 45 97.084 8.241 -2.141 1.00 0.00 C ATOM 719 C PHE A 45 96.409 7.923 -0.806 1.00 0.00 C ATOM 720 O PHE A 45 95.314 8.368 -0.526 1.00 0.00 O ATOM 721 CB PHE A 45 96.326 7.501 -3.234 1.00 0.00 C ATOM 722 CG PHE A 45 96.812 7.940 -4.596 1.00 0.00 C ATOM 723 CD1 PHE A 45 97.883 7.273 -5.202 1.00 0.00 C ATOM 724 CD2 PHE A 45 96.191 9.009 -5.254 1.00 0.00 C ATOM 725 CE1 PHE A 45 98.333 7.675 -6.466 1.00 0.00 C ATOM 726 CE2 PHE A 45 96.641 9.410 -6.518 1.00 0.00 C ATOM 727 CZ PHE A 45 97.712 8.743 -7.124 1.00 0.00 C ATOM 0 H PHE A 45 98.759 7.186 -2.947 1.00 0.00 H new ATOM 0 HA PHE A 45 97.077 9.318 -2.306 1.00 0.00 H new ATOM 0 HB2 PHE A 45 96.465 6.426 -3.119 1.00 0.00 H new ATOM 0 HB3 PHE A 45 95.258 7.696 -3.141 1.00 0.00 H new ATOM 0 HD1 PHE A 45 98.362 6.449 -4.695 1.00 0.00 H new ATOM 0 HD2 PHE A 45 95.365 9.524 -4.787 1.00 0.00 H new ATOM 0 HE1 PHE A 45 99.160 7.161 -6.933 1.00 0.00 H new ATOM 0 HE2 PHE A 45 96.162 10.234 -7.025 1.00 0.00 H new ATOM 0 HZ PHE A 45 98.059 9.052 -8.099 1.00 0.00 H new ATOM 737 N LEU A 46 97.056 7.152 0.010 1.00 0.00 N ATOM 738 CA LEU A 46 96.477 6.774 1.339 1.00 0.00 C ATOM 739 C LEU A 46 97.110 7.675 2.378 1.00 0.00 C ATOM 740 O LEU A 46 96.547 8.672 2.783 1.00 0.00 O ATOM 741 CB LEU A 46 96.809 5.305 1.634 1.00 0.00 C ATOM 742 CG LEU A 46 96.185 4.847 2.971 1.00 0.00 C ATOM 743 CD1 LEU A 46 94.709 4.460 2.761 1.00 0.00 C ATOM 744 CD2 LEU A 46 96.970 3.635 3.517 1.00 0.00 C ATOM 0 H LEU A 46 97.976 6.757 -0.182 1.00 0.00 H new ATOM 0 HA LEU A 46 95.393 6.891 1.348 1.00 0.00 H new ATOM 0 HB2 LEU A 46 96.440 4.677 0.824 1.00 0.00 H new ATOM 0 HB3 LEU A 46 97.891 5.175 1.671 1.00 0.00 H new ATOM 0 HG LEU A 46 96.236 5.666 3.688 1.00 0.00 H new ATOM 0 HD11 LEU A 46 94.279 4.139 3.709 1.00 0.00 H new ATOM 0 HD12 LEU A 46 94.157 5.321 2.385 1.00 0.00 H new ATOM 0 HD13 LEU A 46 94.646 3.646 2.039 1.00 0.00 H new ATOM 0 HD21 LEU A 46 96.530 3.312 4.460 1.00 0.00 H new ATOM 0 HD22 LEU A 46 96.925 2.818 2.797 1.00 0.00 H new ATOM 0 HD23 LEU A 46 98.010 3.918 3.680 1.00 0.00 H new ATOM 756 N GLY A 47 98.305 7.362 2.775 1.00 0.00 N ATOM 757 CA GLY A 47 99.001 8.237 3.741 1.00 0.00 C ATOM 758 C GLY A 47 99.408 9.498 2.985 1.00 0.00 C ATOM 759 O GLY A 47 100.365 10.163 3.329 1.00 0.00 O ATOM 0 H GLY A 47 98.827 6.540 2.472 1.00 0.00 H new ATOM 0 HA2 GLY A 47 98.348 8.483 4.579 1.00 0.00 H new ATOM 0 HA3 GLY A 47 99.876 7.736 4.155 1.00 0.00 H new ATOM 763 N LYS A 48 98.688 9.816 1.928 1.00 0.00 N ATOM 764 CA LYS A 48 99.025 11.013 1.115 1.00 0.00 C ATOM 765 C LYS A 48 99.344 12.189 2.045 1.00 0.00 C ATOM 766 O LYS A 48 100.191 13.010 1.758 1.00 0.00 O ATOM 767 CB LYS A 48 97.827 11.387 0.226 1.00 0.00 C ATOM 768 CG LYS A 48 98.149 12.625 -0.629 1.00 0.00 C ATOM 769 CD LYS A 48 99.358 12.348 -1.537 1.00 0.00 C ATOM 770 CE LYS A 48 99.365 13.333 -2.710 1.00 0.00 C ATOM 771 NZ LYS A 48 99.387 14.729 -2.189 1.00 0.00 N ATOM 0 H LYS A 48 97.879 9.288 1.600 1.00 0.00 H new ATOM 0 HA LYS A 48 99.890 10.791 0.490 1.00 0.00 H new ATOM 0 HB2 LYS A 48 97.573 10.548 -0.422 1.00 0.00 H new ATOM 0 HB3 LYS A 48 96.954 11.586 0.848 1.00 0.00 H new ATOM 0 HG2 LYS A 48 97.284 12.891 -1.236 1.00 0.00 H new ATOM 0 HG3 LYS A 48 98.359 13.477 0.018 1.00 0.00 H new ATOM 0 HD2 LYS A 48 100.282 12.442 -0.966 1.00 0.00 H new ATOM 0 HD3 LYS A 48 99.317 11.325 -1.910 1.00 0.00 H new ATOM 0 HE2 LYS A 48 100.235 13.156 -3.342 1.00 0.00 H new ATOM 0 HE3 LYS A 48 98.483 13.180 -3.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 99.612 15.385 -2.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 98.455 14.967 -1.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 100.109 14.811 -1.445 1.00 0.00 H new ATOM 785 N ARG A 49 98.668 12.273 3.160 1.00 0.00 N ATOM 786 CA ARG A 49 98.933 13.392 4.107 1.00 0.00 C ATOM 787 C ARG A 49 100.368 13.271 4.624 1.00 0.00 C ATOM 788 O ARG A 49 100.869 12.187 4.849 1.00 0.00 O ATOM 789 CB ARG A 49 97.959 13.323 5.289 1.00 0.00 C ATOM 790 CG ARG A 49 96.512 13.193 4.788 1.00 0.00 C ATOM 791 CD ARG A 49 96.053 14.489 4.106 1.00 0.00 C ATOM 792 NE ARG A 49 96.407 15.684 4.943 1.00 0.00 N ATOM 793 CZ ARG A 49 96.014 15.801 6.185 1.00 0.00 C ATOM 794 NH1 ARG A 49 95.160 14.959 6.698 1.00 0.00 N ATOM 795 NH2 ARG A 49 96.442 16.803 6.903 1.00 0.00 N ATOM 0 H ARG A 49 97.945 11.616 3.454 1.00 0.00 H new ATOM 0 HA ARG A 49 98.797 14.343 3.593 1.00 0.00 H new ATOM 0 HB2 ARG A 49 98.208 12.473 5.924 1.00 0.00 H new ATOM 0 HB3 ARG A 49 98.059 14.218 5.902 1.00 0.00 H new ATOM 0 HG2 ARG A 49 96.439 12.362 4.087 1.00 0.00 H new ATOM 0 HG3 ARG A 49 95.852 12.963 5.625 1.00 0.00 H new ATOM 0 HD2 ARG A 49 96.520 14.575 3.125 1.00 0.00 H new ATOM 0 HD3 ARG A 49 94.976 14.459 3.944 1.00 0.00 H new ATOM 0 HE ARG A 49 96.971 16.427 4.531 1.00 0.00 H new ATOM 0 HH11 ARG A 49 94.790 14.197 6.129 1.00 0.00 H new ATOM 0 HH12 ARG A 49 94.862 15.062 7.668 1.00 0.00 H new ATOM 0 HH21 ARG A 49 97.078 17.488 6.495 1.00 0.00 H new ATOM 0 HH22 ARG A 49 96.140 16.901 7.872 1.00 0.00 H new ATOM 809 N THR A 50 101.039 14.374 4.796 1.00 0.00 N ATOM 810 CA THR A 50 102.450 14.331 5.276 1.00 0.00 C ATOM 811 C THR A 50 102.511 13.917 6.752 1.00 0.00 C ATOM 812 O THR A 50 103.552 13.536 7.247 1.00 0.00 O ATOM 813 CB THR A 50 103.077 15.717 5.106 1.00 0.00 C ATOM 814 OG1 THR A 50 104.446 15.664 5.481 1.00 0.00 O ATOM 815 CG2 THR A 50 102.342 16.735 5.986 1.00 0.00 C ATOM 0 H THR A 50 100.670 15.309 4.624 1.00 0.00 H new ATOM 0 HA THR A 50 103.000 13.595 4.690 1.00 0.00 H new ATOM 0 HB THR A 50 102.995 16.023 4.063 1.00 0.00 H new ATOM 0 HG1 THR A 50 104.850 16.550 5.371 1.00 0.00 H new ATOM 0 HG21 THR A 50 102.794 17.719 5.859 1.00 0.00 H new ATOM 0 HG22 THR A 50 101.293 16.778 5.694 1.00 0.00 H new ATOM 0 HG23 THR A 50 102.416 16.433 7.031 1.00 0.00 H new ATOM 823 N ASP A 51 101.413 13.988 7.466 1.00 0.00 N ATOM 824 CA ASP A 51 101.434 13.596 8.914 1.00 0.00 C ATOM 825 C ASP A 51 100.951 12.152 9.067 1.00 0.00 C ATOM 826 O ASP A 51 101.138 11.532 10.096 1.00 0.00 O ATOM 827 CB ASP A 51 100.507 14.519 9.705 1.00 0.00 C ATOM 828 CG ASP A 51 99.081 14.390 9.169 1.00 0.00 C ATOM 829 OD1 ASP A 51 98.933 13.945 8.042 1.00 0.00 O ATOM 830 OD2 ASP A 51 98.163 14.737 9.891 1.00 0.00 O ATOM 0 H ASP A 51 100.508 14.298 7.113 1.00 0.00 H new ATOM 0 HA ASP A 51 102.453 13.681 9.292 1.00 0.00 H new ATOM 0 HB2 ASP A 51 100.534 14.259 10.763 1.00 0.00 H new ATOM 0 HB3 ASP A 51 100.846 15.551 9.621 1.00 0.00 H new ATOM 835 N GLU A 52 100.345 11.604 8.050 1.00 0.00 N ATOM 836 CA GLU A 52 99.867 10.193 8.136 1.00 0.00 C ATOM 837 C GLU A 52 99.127 9.968 9.459 1.00 0.00 C ATOM 838 O GLU A 52 98.987 8.852 9.920 1.00 0.00 O ATOM 839 CB GLU A 52 101.075 9.265 8.085 1.00 0.00 C ATOM 840 CG GLU A 52 101.789 9.426 6.741 1.00 0.00 C ATOM 841 CD GLU A 52 103.000 8.493 6.693 1.00 0.00 C ATOM 842 OE1 GLU A 52 103.330 7.930 7.723 1.00 0.00 O ATOM 843 OE2 GLU A 52 103.576 8.356 5.625 1.00 0.00 O ATOM 0 H GLU A 52 100.160 12.071 7.163 1.00 0.00 H new ATOM 0 HA GLU A 52 99.190 9.989 7.306 1.00 0.00 H new ATOM 0 HB2 GLU A 52 101.759 9.496 8.902 1.00 0.00 H new ATOM 0 HB3 GLU A 52 100.758 8.231 8.218 1.00 0.00 H new ATOM 0 HG2 GLU A 52 101.106 9.195 5.924 1.00 0.00 H new ATOM 0 HG3 GLU A 52 102.107 10.460 6.608 1.00 0.00 H new ATOM 850 N ALA A 53 98.666 11.015 10.077 1.00 0.00 N ATOM 851 CA ALA A 53 97.948 10.859 11.379 1.00 0.00 C ATOM 852 C ALA A 53 96.710 9.977 11.198 1.00 0.00 C ATOM 853 O ALA A 53 96.474 9.070 11.968 1.00 0.00 O ATOM 854 CB ALA A 53 97.527 12.234 11.899 1.00 0.00 C ATOM 0 H ALA A 53 98.753 11.974 9.741 1.00 0.00 H new ATOM 0 HA ALA A 53 98.617 10.386 12.098 1.00 0.00 H new ATOM 0 HB1 ALA A 53 97.004 12.119 12.848 1.00 0.00 H new ATOM 0 HB2 ALA A 53 98.411 12.854 12.045 1.00 0.00 H new ATOM 0 HB3 ALA A 53 96.865 12.710 11.175 1.00 0.00 H new ATOM 860 N ALA A 54 95.912 10.221 10.196 1.00 0.00 N ATOM 861 CA ALA A 54 94.710 9.362 10.011 1.00 0.00 C ATOM 862 C ALA A 54 95.163 7.963 9.599 1.00 0.00 C ATOM 863 O ALA A 54 94.632 6.965 10.029 1.00 0.00 O ATOM 864 CB ALA A 54 93.796 9.936 8.941 1.00 0.00 C ATOM 0 H ALA A 54 96.036 10.964 9.509 1.00 0.00 H new ATOM 0 HA ALA A 54 94.155 9.320 10.948 1.00 0.00 H new ATOM 0 HB1 ALA A 54 92.925 9.292 8.823 1.00 0.00 H new ATOM 0 HB2 ALA A 54 93.472 10.934 9.236 1.00 0.00 H new ATOM 0 HB3 ALA A 54 94.335 9.994 7.995 1.00 0.00 H new ATOM 870 N PHE A 55 96.165 7.874 8.783 1.00 0.00 N ATOM 871 CA PHE A 55 96.655 6.532 8.383 1.00 0.00 C ATOM 872 C PHE A 55 96.949 5.767 9.665 1.00 0.00 C ATOM 873 O PHE A 55 96.644 4.599 9.805 1.00 0.00 O ATOM 874 CB PHE A 55 97.934 6.694 7.573 1.00 0.00 C ATOM 875 CG PHE A 55 98.582 5.344 7.341 1.00 0.00 C ATOM 876 CD1 PHE A 55 97.875 4.327 6.686 1.00 0.00 C ATOM 877 CD2 PHE A 55 99.893 5.111 7.782 1.00 0.00 C ATOM 878 CE1 PHE A 55 98.477 3.081 6.473 1.00 0.00 C ATOM 879 CE2 PHE A 55 100.494 3.866 7.568 1.00 0.00 C ATOM 880 CZ PHE A 55 99.786 2.851 6.913 1.00 0.00 C ATOM 0 H PHE A 55 96.665 8.665 8.377 1.00 0.00 H new ATOM 0 HA PHE A 55 95.921 6.001 7.777 1.00 0.00 H new ATOM 0 HB2 PHE A 55 97.710 7.167 6.617 1.00 0.00 H new ATOM 0 HB3 PHE A 55 98.626 7.352 8.100 1.00 0.00 H new ATOM 0 HD1 PHE A 55 96.866 4.504 6.345 1.00 0.00 H new ATOM 0 HD2 PHE A 55 100.439 5.894 8.287 1.00 0.00 H new ATOM 0 HE1 PHE A 55 97.931 2.297 5.969 1.00 0.00 H new ATOM 0 HE2 PHE A 55 101.504 3.688 7.908 1.00 0.00 H new ATOM 0 HZ PHE A 55 100.250 1.890 6.747 1.00 0.00 H new ATOM 890 N GLN A 56 97.507 6.454 10.618 1.00 0.00 N ATOM 891 CA GLN A 56 97.796 5.823 11.929 1.00 0.00 C ATOM 892 C GLN A 56 96.467 5.509 12.604 1.00 0.00 C ATOM 893 O GLN A 56 96.342 4.578 13.374 1.00 0.00 O ATOM 894 CB GLN A 56 98.630 6.787 12.786 1.00 0.00 C ATOM 895 CG GLN A 56 98.936 6.149 14.142 1.00 0.00 C ATOM 896 CD GLN A 56 99.816 7.098 14.958 1.00 0.00 C ATOM 897 OE1 GLN A 56 100.308 8.082 14.443 1.00 0.00 O ATOM 898 NE2 GLN A 56 100.026 6.850 16.222 1.00 0.00 N ATOM 0 H GLN A 56 97.777 7.435 10.543 1.00 0.00 H new ATOM 0 HA GLN A 56 98.366 4.903 11.802 1.00 0.00 H new ATOM 0 HB2 GLN A 56 99.559 7.032 12.272 1.00 0.00 H new ATOM 0 HB3 GLN A 56 98.088 7.722 12.929 1.00 0.00 H new ATOM 0 HG2 GLN A 56 98.009 5.943 14.677 1.00 0.00 H new ATOM 0 HG3 GLN A 56 99.443 5.194 14.002 1.00 0.00 H new ATOM 0 HE21 GLN A 56 99.613 6.024 16.655 1.00 0.00 H new ATOM 0 HE22 GLN A 56 100.603 7.482 16.777 1.00 0.00 H new ATOM 907 N LYS A 57 95.468 6.281 12.293 1.00 0.00 N ATOM 908 CA LYS A 57 94.117 6.045 12.879 1.00 0.00 C ATOM 909 C LYS A 57 93.531 4.778 12.277 1.00 0.00 C ATOM 910 O LYS A 57 92.923 3.975 12.957 1.00 0.00 O ATOM 911 CB LYS A 57 93.193 7.243 12.605 1.00 0.00 C ATOM 912 CG LYS A 57 91.813 6.983 13.207 1.00 0.00 C ATOM 913 CD LYS A 57 91.033 8.297 13.315 1.00 0.00 C ATOM 914 CE LYS A 57 90.733 8.839 11.916 1.00 0.00 C ATOM 915 NZ LYS A 57 89.695 9.904 12.011 1.00 0.00 N ATOM 0 H LYS A 57 95.527 7.073 11.653 1.00 0.00 H new ATOM 0 HA LYS A 57 94.207 5.929 13.959 1.00 0.00 H new ATOM 0 HB2 LYS A 57 93.621 8.149 13.033 1.00 0.00 H new ATOM 0 HB3 LYS A 57 93.106 7.408 11.531 1.00 0.00 H new ATOM 0 HG2 LYS A 57 91.264 6.275 12.587 1.00 0.00 H new ATOM 0 HG3 LYS A 57 91.917 6.530 14.193 1.00 0.00 H new ATOM 0 HD2 LYS A 57 90.103 8.134 13.859 1.00 0.00 H new ATOM 0 HD3 LYS A 57 91.610 9.028 13.882 1.00 0.00 H new ATOM 0 HE2 LYS A 57 91.641 9.240 11.467 1.00 0.00 H new ATOM 0 HE3 LYS A 57 90.386 8.034 11.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 89.489 10.274 11.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 88.827 9.507 12.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 90.043 10.676 12.615 1.00 0.00 H new ATOM 929 N LEU A 58 93.730 4.582 11.008 1.00 0.00 N ATOM 930 CA LEU A 58 93.205 3.350 10.373 1.00 0.00 C ATOM 931 C LEU A 58 94.015 2.204 10.937 1.00 0.00 C ATOM 932 O LEU A 58 93.505 1.151 11.262 1.00 0.00 O ATOM 933 CB LEU A 58 93.375 3.420 8.846 1.00 0.00 C ATOM 934 CG LEU A 58 92.228 4.221 8.217 1.00 0.00 C ATOM 935 CD1 LEU A 58 92.378 5.706 8.557 1.00 0.00 C ATOM 936 CD2 LEU A 58 92.263 4.044 6.697 1.00 0.00 C ATOM 0 H LEU A 58 94.230 5.218 10.387 1.00 0.00 H new ATOM 0 HA LEU A 58 92.142 3.223 10.577 1.00 0.00 H new ATOM 0 HB2 LEU A 58 94.330 3.886 8.601 1.00 0.00 H new ATOM 0 HB3 LEU A 58 93.395 2.413 8.429 1.00 0.00 H new ATOM 0 HG LEU A 58 91.279 3.858 8.611 1.00 0.00 H new ATOM 0 HD11 LEU A 58 91.559 6.267 8.106 1.00 0.00 H new ATOM 0 HD12 LEU A 58 92.354 5.836 9.639 1.00 0.00 H new ATOM 0 HD13 LEU A 58 93.327 6.074 8.168 1.00 0.00 H new ATOM 0 HD21 LEU A 58 91.449 4.612 6.246 1.00 0.00 H new ATOM 0 HD22 LEU A 58 93.216 4.406 6.310 1.00 0.00 H new ATOM 0 HD23 LEU A 58 92.149 2.988 6.451 1.00 0.00 H new ATOM 948 N MET A 59 95.284 2.432 11.086 1.00 0.00 N ATOM 949 CA MET A 59 96.155 1.388 11.669 1.00 0.00 C ATOM 950 C MET A 59 95.788 1.228 13.133 1.00 0.00 C ATOM 951 O MET A 59 95.781 0.137 13.668 1.00 0.00 O ATOM 952 CB MET A 59 97.621 1.786 11.558 1.00 0.00 C ATOM 953 CG MET A 59 98.057 1.746 10.094 1.00 0.00 C ATOM 954 SD MET A 59 99.776 2.302 9.961 1.00 0.00 S ATOM 955 CE MET A 59 100.533 0.978 10.933 1.00 0.00 C ATOM 0 H MET A 59 95.756 3.299 10.828 1.00 0.00 H new ATOM 0 HA MET A 59 96.012 0.452 11.129 1.00 0.00 H new ATOM 0 HB2 MET A 59 97.768 2.787 11.964 1.00 0.00 H new ATOM 0 HB3 MET A 59 98.237 1.109 12.149 1.00 0.00 H new ATOM 0 HG2 MET A 59 97.960 0.734 9.702 1.00 0.00 H new ATOM 0 HG3 MET A 59 97.409 2.384 9.493 1.00 0.00 H new ATOM 0 HE1 MET A 59 101.563 0.831 10.607 1.00 0.00 H new ATOM 0 HE2 MET A 59 100.522 1.249 11.989 1.00 0.00 H new ATOM 0 HE3 MET A 59 99.972 0.055 10.790 1.00 0.00 H new ATOM 965 N SER A 60 95.477 2.310 13.794 1.00 0.00 N ATOM 966 CA SER A 60 95.108 2.191 15.234 1.00 0.00 C ATOM 967 C SER A 60 93.847 1.341 15.347 1.00 0.00 C ATOM 968 O SER A 60 93.595 0.717 16.356 1.00 0.00 O ATOM 969 CB SER A 60 94.853 3.571 15.832 1.00 0.00 C ATOM 970 OG SER A 60 96.029 4.361 15.710 1.00 0.00 O ATOM 0 H SER A 60 95.462 3.254 13.409 1.00 0.00 H new ATOM 0 HA SER A 60 95.926 1.723 15.781 1.00 0.00 H new ATOM 0 HB2 SER A 60 94.022 4.054 15.319 1.00 0.00 H new ATOM 0 HB3 SER A 60 94.570 3.479 16.881 1.00 0.00 H new ATOM 0 HG SER A 60 96.037 4.802 14.835 1.00 0.00 H new ATOM 976 N ASN A 61 93.052 1.297 14.318 1.00 0.00 N ATOM 977 CA ASN A 61 91.819 0.458 14.389 1.00 0.00 C ATOM 978 C ASN A 61 92.233 -1.006 14.316 1.00 0.00 C ATOM 979 O ASN A 61 91.674 -1.855 14.969 1.00 0.00 O ATOM 980 CB ASN A 61 90.869 0.803 13.242 1.00 0.00 C ATOM 981 CG ASN A 61 90.241 2.177 13.489 1.00 0.00 C ATOM 982 OD1 ASN A 61 90.246 3.027 12.622 1.00 0.00 O ATOM 983 ND2 ASN A 61 89.692 2.431 14.647 1.00 0.00 N ATOM 0 H ASN A 61 93.196 1.797 13.441 1.00 0.00 H new ATOM 0 HA ASN A 61 91.293 0.650 15.324 1.00 0.00 H new ATOM 0 HB2 ASN A 61 91.411 0.805 12.296 1.00 0.00 H new ATOM 0 HB3 ASN A 61 90.090 0.045 13.162 1.00 0.00 H new ATOM 0 HD21 ASN A 61 89.268 3.342 14.822 1.00 0.00 H new ATOM 0 HD22 ASN A 61 89.687 1.718 15.376 1.00 0.00 H new ATOM 990 N LEU A 62 93.235 -1.311 13.548 1.00 0.00 N ATOM 991 CA LEU A 62 93.697 -2.722 13.490 1.00 0.00 C ATOM 992 C LEU A 62 94.110 -3.067 14.911 1.00 0.00 C ATOM 993 O LEU A 62 94.054 -4.199 15.349 1.00 0.00 O ATOM 994 CB LEU A 62 94.891 -2.843 12.538 1.00 0.00 C ATOM 995 CG LEU A 62 94.614 -2.052 11.254 1.00 0.00 C ATOM 996 CD1 LEU A 62 95.827 -2.150 10.316 1.00 0.00 C ATOM 997 CD2 LEU A 62 93.367 -2.590 10.545 1.00 0.00 C ATOM 0 H LEU A 62 93.750 -0.653 12.963 1.00 0.00 H new ATOM 0 HA LEU A 62 92.923 -3.395 13.121 1.00 0.00 H new ATOM 0 HB2 LEU A 62 95.792 -2.466 13.021 1.00 0.00 H new ATOM 0 HB3 LEU A 62 95.072 -3.891 12.299 1.00 0.00 H new ATOM 0 HG LEU A 62 94.439 -1.009 11.518 1.00 0.00 H new ATOM 0 HD11 LEU A 62 95.628 -1.587 9.404 1.00 0.00 H new ATOM 0 HD12 LEU A 62 96.705 -1.738 10.813 1.00 0.00 H new ATOM 0 HD13 LEU A 62 96.009 -3.195 10.065 1.00 0.00 H new ATOM 0 HD21 LEU A 62 93.188 -2.015 9.637 1.00 0.00 H new ATOM 0 HD22 LEU A 62 93.519 -3.638 10.287 1.00 0.00 H new ATOM 0 HD23 LEU A 62 92.505 -2.500 11.206 1.00 0.00 H new ATOM 1009 N ASP A 63 94.482 -2.050 15.644 1.00 0.00 N ATOM 1010 CA ASP A 63 94.858 -2.231 17.064 1.00 0.00 C ATOM 1011 C ASP A 63 93.569 -2.158 17.888 1.00 0.00 C ATOM 1012 O ASP A 63 93.586 -2.200 19.101 1.00 0.00 O ATOM 1013 CB ASP A 63 95.822 -1.115 17.493 1.00 0.00 C ATOM 1014 CG ASP A 63 96.533 -1.518 18.787 1.00 0.00 C ATOM 1015 OD1 ASP A 63 95.982 -2.327 19.516 1.00 0.00 O ATOM 1016 OD2 ASP A 63 97.616 -1.010 19.027 1.00 0.00 O ATOM 0 H ASP A 63 94.540 -1.089 15.307 1.00 0.00 H new ATOM 0 HA ASP A 63 95.357 -3.188 17.216 1.00 0.00 H new ATOM 0 HB2 ASP A 63 96.554 -0.931 16.707 1.00 0.00 H new ATOM 0 HB3 ASP A 63 95.274 -0.185 17.642 1.00 0.00 H new ATOM 1021 N SER A 64 92.441 -2.039 17.218 1.00 0.00 N ATOM 1022 CA SER A 64 91.142 -1.952 17.945 1.00 0.00 C ATOM 1023 C SER A 64 90.974 -3.209 18.801 1.00 0.00 C ATOM 1024 O SER A 64 91.318 -4.298 18.384 1.00 0.00 O ATOM 1025 CB SER A 64 89.975 -1.879 16.959 1.00 0.00 C ATOM 1026 OG SER A 64 88.753 -1.843 17.684 1.00 0.00 O ATOM 0 H SER A 64 92.371 -1.999 16.201 1.00 0.00 H new ATOM 0 HA SER A 64 91.144 -1.054 18.563 1.00 0.00 H new ATOM 0 HB2 SER A 64 90.067 -0.991 16.333 1.00 0.00 H new ATOM 0 HB3 SER A 64 89.991 -2.742 16.293 1.00 0.00 H new ATOM 0 HG SER A 64 88.002 -1.794 17.057 1.00 0.00 H new ATOM 1032 N ASN A 65 90.468 -3.078 19.994 1.00 0.00 N ATOM 1033 CA ASN A 65 90.307 -4.280 20.864 1.00 0.00 C ATOM 1034 C ASN A 65 89.067 -5.094 20.461 1.00 0.00 C ATOM 1035 O ASN A 65 88.952 -6.256 20.799 1.00 0.00 O ATOM 1036 CB ASN A 65 90.179 -3.828 22.323 1.00 0.00 C ATOM 1037 CG ASN A 65 88.983 -2.885 22.475 1.00 0.00 C ATOM 1038 OD1 ASN A 65 88.209 -2.710 21.555 1.00 0.00 O ATOM 1039 ND2 ASN A 65 88.805 -2.260 23.609 1.00 0.00 N ATOM 0 H ASN A 65 90.160 -2.197 20.405 1.00 0.00 H new ATOM 0 HA ASN A 65 91.182 -4.918 20.745 1.00 0.00 H new ATOM 0 HB2 ASN A 65 90.054 -4.695 22.971 1.00 0.00 H new ATOM 0 HB3 ASN A 65 91.093 -3.324 22.638 1.00 0.00 H new ATOM 0 HD21 ASN A 65 88.015 -1.624 23.723 1.00 0.00 H new ATOM 0 HD22 ASN A 65 89.456 -2.408 24.380 1.00 0.00 H new ATOM 1046 N ARG A 66 88.130 -4.506 19.760 1.00 0.00 N ATOM 1047 CA ARG A 66 86.898 -5.270 19.368 1.00 0.00 C ATOM 1048 C ARG A 66 87.064 -5.933 17.990 1.00 0.00 C ATOM 1049 O ARG A 66 86.770 -7.099 17.818 1.00 0.00 O ATOM 1050 CB ARG A 66 85.706 -4.309 19.326 1.00 0.00 C ATOM 1051 CG ARG A 66 84.409 -5.099 19.126 1.00 0.00 C ATOM 1052 CD ARG A 66 83.230 -4.126 19.087 1.00 0.00 C ATOM 1053 NE ARG A 66 81.936 -4.885 19.133 1.00 0.00 N ATOM 1054 CZ ARG A 66 81.620 -5.761 18.218 1.00 0.00 C ATOM 1055 NH1 ARG A 66 82.356 -5.897 17.149 1.00 0.00 N ATOM 1056 NH2 ARG A 66 80.534 -6.473 18.351 1.00 0.00 N ATOM 0 H ARG A 66 88.161 -3.537 19.442 1.00 0.00 H new ATOM 0 HA ARG A 66 86.731 -6.055 20.105 1.00 0.00 H new ATOM 0 HB2 ARG A 66 85.655 -3.737 20.253 1.00 0.00 H new ATOM 0 HB3 ARG A 66 85.834 -3.591 18.516 1.00 0.00 H new ATOM 0 HG2 ARG A 66 84.456 -5.670 18.199 1.00 0.00 H new ATOM 0 HG3 ARG A 66 84.277 -5.817 19.936 1.00 0.00 H new ATOM 0 HD2 ARG A 66 83.288 -3.438 19.930 1.00 0.00 H new ATOM 0 HD3 ARG A 66 83.275 -3.523 18.180 1.00 0.00 H new ATOM 0 HE ARG A 66 81.286 -4.712 19.900 1.00 0.00 H new ATOM 0 HH11 ARG A 66 83.185 -5.316 17.024 1.00 0.00 H new ATOM 0 HH12 ARG A 66 82.102 -6.584 16.439 1.00 0.00 H new ATOM 0 HH21 ARG A 66 79.936 -6.344 19.167 1.00 0.00 H new ATOM 0 HH22 ARG A 66 80.283 -7.159 17.639 1.00 0.00 H new ATOM 1070 N ASP A 67 87.501 -5.195 17.003 1.00 0.00 N ATOM 1071 CA ASP A 67 87.648 -5.782 15.633 1.00 0.00 C ATOM 1072 C ASP A 67 88.835 -6.752 15.582 1.00 0.00 C ATOM 1073 O ASP A 67 89.789 -6.619 16.322 1.00 0.00 O ATOM 1074 CB ASP A 67 87.874 -4.652 14.628 1.00 0.00 C ATOM 1075 CG ASP A 67 86.679 -3.698 14.659 1.00 0.00 C ATOM 1076 OD1 ASP A 67 85.559 -4.181 14.638 1.00 0.00 O ATOM 1077 OD2 ASP A 67 86.905 -2.500 14.705 1.00 0.00 O ATOM 0 H ASP A 67 87.763 -4.212 17.084 1.00 0.00 H new ATOM 0 HA ASP A 67 86.740 -6.332 15.386 1.00 0.00 H new ATOM 0 HB2 ASP A 67 88.790 -4.113 14.870 1.00 0.00 H new ATOM 0 HB3 ASP A 67 88.000 -5.062 13.626 1.00 0.00 H new ATOM 1082 N ASN A 68 88.780 -7.733 14.705 1.00 0.00 N ATOM 1083 CA ASN A 68 89.905 -8.719 14.594 1.00 0.00 C ATOM 1084 C ASN A 68 90.176 -9.060 13.117 1.00 0.00 C ATOM 1085 O ASN A 68 91.312 -9.186 12.706 1.00 0.00 O ATOM 1086 CB ASN A 68 89.530 -9.996 15.351 1.00 0.00 C ATOM 1087 CG ASN A 68 88.162 -10.489 14.879 1.00 0.00 C ATOM 1088 OD1 ASN A 68 87.370 -9.722 14.366 1.00 0.00 O ATOM 1089 ND2 ASN A 68 87.846 -11.746 15.031 1.00 0.00 N ATOM 0 H ASN A 68 88.004 -7.891 14.062 1.00 0.00 H new ATOM 0 HA ASN A 68 90.806 -8.281 15.024 1.00 0.00 H new ATOM 0 HB2 ASN A 68 90.283 -10.765 15.182 1.00 0.00 H new ATOM 0 HB3 ASN A 68 89.508 -9.802 16.423 1.00 0.00 H new ATOM 0 HD21 ASN A 68 86.935 -12.084 14.720 1.00 0.00 H new ATOM 0 HD22 ASN A 68 88.510 -12.390 15.461 1.00 0.00 H new ATOM 1096 N GLU A 69 89.142 -9.212 12.319 1.00 0.00 N ATOM 1097 CA GLU A 69 89.328 -9.545 10.858 1.00 0.00 C ATOM 1098 C GLU A 69 88.649 -8.459 10.034 1.00 0.00 C ATOM 1099 O GLU A 69 88.097 -7.519 10.570 1.00 0.00 O ATOM 1100 CB GLU A 69 88.689 -10.921 10.522 1.00 0.00 C ATOM 1101 CG GLU A 69 88.283 -11.616 11.809 1.00 0.00 C ATOM 1102 CD GLU A 69 87.833 -13.047 11.508 1.00 0.00 C ATOM 1103 OE1 GLU A 69 87.687 -13.369 10.341 1.00 0.00 O ATOM 1104 OE2 GLU A 69 87.653 -13.801 12.451 1.00 0.00 O ATOM 0 H GLU A 69 88.170 -9.120 12.615 1.00 0.00 H new ATOM 0 HA GLU A 69 90.393 -9.597 10.630 1.00 0.00 H new ATOM 0 HB2 GLU A 69 87.819 -10.783 9.880 1.00 0.00 H new ATOM 0 HB3 GLU A 69 89.398 -11.539 9.970 1.00 0.00 H new ATOM 0 HG2 GLU A 69 89.121 -11.628 12.506 1.00 0.00 H new ATOM 0 HG3 GLU A 69 87.475 -11.065 12.291 1.00 0.00 H new ATOM 1111 N VAL A 70 88.684 -8.587 8.736 1.00 0.00 N ATOM 1112 CA VAL A 70 88.036 -7.570 7.863 1.00 0.00 C ATOM 1113 C VAL A 70 86.928 -8.228 7.066 1.00 0.00 C ATOM 1114 O VAL A 70 87.140 -8.752 5.989 1.00 0.00 O ATOM 1115 CB VAL A 70 89.093 -7.014 6.904 1.00 0.00 C ATOM 1116 CG1 VAL A 70 88.683 -5.640 6.400 1.00 0.00 C ATOM 1117 CG2 VAL A 70 90.419 -6.903 7.637 1.00 0.00 C ATOM 0 H VAL A 70 89.136 -9.356 8.241 1.00 0.00 H new ATOM 0 HA VAL A 70 87.616 -6.765 8.466 1.00 0.00 H new ATOM 0 HB VAL A 70 89.188 -7.687 6.052 1.00 0.00 H new ATOM 0 HG11 VAL A 70 89.445 -5.260 5.720 1.00 0.00 H new ATOM 0 HG12 VAL A 70 87.731 -5.715 5.874 1.00 0.00 H new ATOM 0 HG13 VAL A 70 88.578 -4.959 7.245 1.00 0.00 H new ATOM 0 HG21 VAL A 70 91.177 -6.508 6.960 1.00 0.00 H new ATOM 0 HG22 VAL A 70 90.309 -6.233 8.489 1.00 0.00 H new ATOM 0 HG23 VAL A 70 90.724 -7.889 7.988 1.00 0.00 H new ATOM 1127 N ASP A 71 85.737 -8.150 7.551 1.00 0.00 N ATOM 1128 CA ASP A 71 84.616 -8.713 6.769 1.00 0.00 C ATOM 1129 C ASP A 71 84.463 -7.787 5.573 1.00 0.00 C ATOM 1130 O ASP A 71 84.940 -6.670 5.602 1.00 0.00 O ATOM 1131 CB ASP A 71 83.331 -8.728 7.603 1.00 0.00 C ATOM 1132 CG ASP A 71 83.434 -9.810 8.679 1.00 0.00 C ATOM 1133 OD1 ASP A 71 84.249 -10.703 8.515 1.00 0.00 O ATOM 1134 OD2 ASP A 71 82.695 -9.729 9.647 1.00 0.00 O ATOM 0 H ASP A 71 85.488 -7.727 8.445 1.00 0.00 H new ATOM 0 HA ASP A 71 84.806 -9.743 6.468 1.00 0.00 H new ATOM 0 HB2 ASP A 71 83.174 -7.754 8.066 1.00 0.00 H new ATOM 0 HB3 ASP A 71 82.471 -8.919 6.962 1.00 0.00 H new ATOM 1139 N PHE A 72 83.842 -8.209 4.514 1.00 0.00 N ATOM 1140 CA PHE A 72 83.731 -7.299 3.351 1.00 0.00 C ATOM 1141 C PHE A 72 83.158 -5.964 3.830 1.00 0.00 C ATOM 1142 O PHE A 72 83.596 -4.907 3.423 1.00 0.00 O ATOM 1143 CB PHE A 72 82.810 -7.931 2.313 1.00 0.00 C ATOM 1144 CG PHE A 72 82.803 -7.076 1.079 1.00 0.00 C ATOM 1145 CD1 PHE A 72 83.870 -7.154 0.181 1.00 0.00 C ATOM 1146 CD2 PHE A 72 81.742 -6.202 0.837 1.00 0.00 C ATOM 1147 CE1 PHE A 72 83.875 -6.360 -0.964 1.00 0.00 C ATOM 1148 CE2 PHE A 72 81.746 -5.405 -0.310 1.00 0.00 C ATOM 1149 CZ PHE A 72 82.813 -5.481 -1.213 1.00 0.00 C ATOM 0 H PHE A 72 83.414 -9.128 4.404 1.00 0.00 H new ATOM 0 HA PHE A 72 84.708 -7.130 2.899 1.00 0.00 H new ATOM 0 HB2 PHE A 72 83.150 -8.938 2.071 1.00 0.00 H new ATOM 0 HB3 PHE A 72 81.800 -8.023 2.713 1.00 0.00 H new ATOM 0 HD1 PHE A 72 84.691 -7.829 0.374 1.00 0.00 H new ATOM 0 HD2 PHE A 72 80.920 -6.142 1.535 1.00 0.00 H new ATOM 0 HE1 PHE A 72 84.698 -6.422 -1.660 1.00 0.00 H new ATOM 0 HE2 PHE A 72 80.925 -4.729 -0.500 1.00 0.00 H new ATOM 0 HZ PHE A 72 82.817 -4.864 -2.099 1.00 0.00 H new ATOM 1159 N GLN A 73 82.203 -6.005 4.716 1.00 0.00 N ATOM 1160 CA GLN A 73 81.628 -4.743 5.245 1.00 0.00 C ATOM 1161 C GLN A 73 82.725 -3.938 5.965 1.00 0.00 C ATOM 1162 O GLN A 73 82.782 -2.732 5.848 1.00 0.00 O ATOM 1163 CB GLN A 73 80.508 -5.077 6.235 1.00 0.00 C ATOM 1164 CG GLN A 73 79.871 -3.791 6.771 1.00 0.00 C ATOM 1165 CD GLN A 73 78.758 -4.156 7.755 1.00 0.00 C ATOM 1166 OE1 GLN A 73 78.383 -5.306 7.865 1.00 0.00 O ATOM 1167 NE2 GLN A 73 78.199 -3.218 8.470 1.00 0.00 N ATOM 0 H GLN A 73 81.797 -6.860 5.096 1.00 0.00 H new ATOM 0 HA GLN A 73 81.228 -4.151 4.422 1.00 0.00 H new ATOM 0 HB2 GLN A 73 79.751 -5.689 5.745 1.00 0.00 H new ATOM 0 HB3 GLN A 73 80.907 -5.665 7.061 1.00 0.00 H new ATOM 0 HG2 GLN A 73 80.623 -3.176 7.265 1.00 0.00 H new ATOM 0 HG3 GLN A 73 79.467 -3.200 5.949 1.00 0.00 H new ATOM 0 HE21 GLN A 73 78.513 -2.252 8.379 1.00 0.00 H new ATOM 0 HE22 GLN A 73 77.448 -3.451 9.120 1.00 0.00 H new ATOM 1176 N GLU A 74 83.598 -4.585 6.711 1.00 0.00 N ATOM 1177 CA GLU A 74 84.661 -3.834 7.425 1.00 0.00 C ATOM 1178 C GLU A 74 85.603 -3.199 6.413 1.00 0.00 C ATOM 1179 O GLU A 74 86.039 -2.076 6.577 1.00 0.00 O ATOM 1180 CB GLU A 74 85.421 -4.807 8.322 1.00 0.00 C ATOM 1181 CG GLU A 74 86.530 -4.079 9.091 1.00 0.00 C ATOM 1182 CD GLU A 74 85.907 -3.040 10.024 1.00 0.00 C ATOM 1183 OE1 GLU A 74 84.729 -3.164 10.317 1.00 0.00 O ATOM 1184 OE2 GLU A 74 86.620 -2.140 10.437 1.00 0.00 O ATOM 0 H GLU A 74 83.612 -5.596 6.849 1.00 0.00 H new ATOM 0 HA GLU A 74 84.224 -3.042 8.034 1.00 0.00 H new ATOM 0 HB2 GLU A 74 84.732 -5.276 9.024 1.00 0.00 H new ATOM 0 HB3 GLU A 74 85.853 -5.605 7.718 1.00 0.00 H new ATOM 0 HG2 GLU A 74 87.118 -4.794 9.667 1.00 0.00 H new ATOM 0 HG3 GLU A 74 87.213 -3.594 8.393 1.00 0.00 H new ATOM 1191 N TYR A 75 85.923 -3.897 5.364 1.00 0.00 N ATOM 1192 CA TYR A 75 86.834 -3.305 4.357 1.00 0.00 C ATOM 1193 C TYR A 75 86.166 -2.034 3.823 1.00 0.00 C ATOM 1194 O TYR A 75 86.797 -1.016 3.618 1.00 0.00 O ATOM 1195 CB TYR A 75 87.062 -4.304 3.213 1.00 0.00 C ATOM 1196 CG TYR A 75 87.708 -3.602 2.034 1.00 0.00 C ATOM 1197 CD1 TYR A 75 88.925 -2.930 2.201 1.00 0.00 C ATOM 1198 CD2 TYR A 75 87.084 -3.615 0.778 1.00 0.00 C ATOM 1199 CE1 TYR A 75 89.516 -2.274 1.115 1.00 0.00 C ATOM 1200 CE2 TYR A 75 87.677 -2.959 -0.307 1.00 0.00 C ATOM 1201 CZ TYR A 75 88.894 -2.288 -0.137 1.00 0.00 C ATOM 1202 OH TYR A 75 89.480 -1.641 -1.207 1.00 0.00 O ATOM 0 H TYR A 75 85.596 -4.842 5.163 1.00 0.00 H new ATOM 0 HA TYR A 75 87.801 -3.069 4.800 1.00 0.00 H new ATOM 0 HB2 TYR A 75 87.698 -5.121 3.554 1.00 0.00 H new ATOM 0 HB3 TYR A 75 86.113 -4.745 2.909 1.00 0.00 H new ATOM 0 HD1 TYR A 75 89.407 -2.918 3.167 1.00 0.00 H new ATOM 0 HD2 TYR A 75 86.145 -4.132 0.648 1.00 0.00 H new ATOM 0 HE1 TYR A 75 90.455 -1.756 1.244 1.00 0.00 H new ATOM 0 HE2 TYR A 75 87.196 -2.970 -1.274 1.00 0.00 H new ATOM 0 HH TYR A 75 90.383 -1.994 -1.348 1.00 0.00 H new ATOM 1212 N CYS A 76 84.881 -2.099 3.623 1.00 0.00 N ATOM 1213 CA CYS A 76 84.120 -0.922 3.130 1.00 0.00 C ATOM 1214 C CYS A 76 84.134 0.152 4.210 1.00 0.00 C ATOM 1215 O CYS A 76 84.251 1.327 3.924 1.00 0.00 O ATOM 1216 CB CYS A 76 82.676 -1.335 2.830 1.00 0.00 C ATOM 1217 SG CYS A 76 82.671 -2.651 1.587 1.00 0.00 S ATOM 0 H CYS A 76 84.317 -2.934 3.784 1.00 0.00 H new ATOM 0 HA CYS A 76 84.575 -0.537 2.218 1.00 0.00 H new ATOM 0 HB2 CYS A 76 82.188 -1.679 3.742 1.00 0.00 H new ATOM 0 HB3 CYS A 76 82.109 -0.477 2.469 1.00 0.00 H new ATOM 0 HG CYS A 76 83.067 -3.763 2.131 1.00 0.00 H new ATOM 1223 N VAL A 77 84.030 -0.233 5.457 1.00 0.00 N ATOM 1224 CA VAL A 77 84.060 0.793 6.527 1.00 0.00 C ATOM 1225 C VAL A 77 85.397 1.516 6.417 1.00 0.00 C ATOM 1226 O VAL A 77 85.468 2.727 6.477 1.00 0.00 O ATOM 1227 CB VAL A 77 83.938 0.114 7.895 1.00 0.00 C ATOM 1228 CG1 VAL A 77 84.216 1.134 9.003 1.00 0.00 C ATOM 1229 CG2 VAL A 77 82.520 -0.449 8.062 1.00 0.00 C ATOM 0 H VAL A 77 83.927 -1.198 5.771 1.00 0.00 H new ATOM 0 HA VAL A 77 83.233 1.496 6.422 1.00 0.00 H new ATOM 0 HB VAL A 77 84.663 -0.698 7.961 1.00 0.00 H new ATOM 0 HG11 VAL A 77 84.129 0.648 9.975 1.00 0.00 H new ATOM 0 HG12 VAL A 77 85.224 1.533 8.886 1.00 0.00 H new ATOM 0 HG13 VAL A 77 83.494 1.948 8.938 1.00 0.00 H new ATOM 0 HG21 VAL A 77 82.433 -0.932 9.035 1.00 0.00 H new ATOM 0 HG22 VAL A 77 81.796 0.363 7.994 1.00 0.00 H new ATOM 0 HG23 VAL A 77 82.323 -1.178 7.276 1.00 0.00 H new ATOM 1239 N PHE A 78 86.457 0.781 6.209 1.00 0.00 N ATOM 1240 CA PHE A 78 87.777 1.436 6.040 1.00 0.00 C ATOM 1241 C PHE A 78 87.758 2.233 4.740 1.00 0.00 C ATOM 1242 O PHE A 78 88.270 3.332 4.667 1.00 0.00 O ATOM 1243 CB PHE A 78 88.886 0.376 5.961 1.00 0.00 C ATOM 1244 CG PHE A 78 89.295 -0.051 7.350 1.00 0.00 C ATOM 1245 CD1 PHE A 78 90.005 0.838 8.161 1.00 0.00 C ATOM 1246 CD2 PHE A 78 88.978 -1.330 7.820 1.00 0.00 C ATOM 1247 CE1 PHE A 78 90.401 0.451 9.444 1.00 0.00 C ATOM 1248 CE2 PHE A 78 89.372 -1.718 9.106 1.00 0.00 C ATOM 1249 CZ PHE A 78 90.084 -0.827 9.919 1.00 0.00 C ATOM 0 H PHE A 78 86.462 -0.237 6.150 1.00 0.00 H new ATOM 0 HA PHE A 78 87.971 2.091 6.889 1.00 0.00 H new ATOM 0 HB2 PHE A 78 88.535 -0.487 5.395 1.00 0.00 H new ATOM 0 HB3 PHE A 78 89.747 0.778 5.427 1.00 0.00 H new ATOM 0 HD1 PHE A 78 90.248 1.825 7.796 1.00 0.00 H new ATOM 0 HD2 PHE A 78 88.430 -2.017 7.192 1.00 0.00 H new ATOM 0 HE1 PHE A 78 90.952 1.138 10.069 1.00 0.00 H new ATOM 0 HE2 PHE A 78 89.127 -2.704 9.471 1.00 0.00 H new ATOM 0 HZ PHE A 78 90.388 -1.126 10.911 1.00 0.00 H new ATOM 1259 N LEU A 79 87.166 1.691 3.707 1.00 0.00 N ATOM 1260 CA LEU A 79 87.127 2.439 2.424 1.00 0.00 C ATOM 1261 C LEU A 79 86.243 3.670 2.628 1.00 0.00 C ATOM 1262 O LEU A 79 86.547 4.756 2.176 1.00 0.00 O ATOM 1263 CB LEU A 79 86.582 1.521 1.313 1.00 0.00 C ATOM 1264 CG LEU A 79 87.144 1.933 -0.063 1.00 0.00 C ATOM 1265 CD1 LEU A 79 88.679 1.723 -0.116 1.00 0.00 C ATOM 1266 CD2 LEU A 79 86.466 1.079 -1.150 1.00 0.00 C ATOM 0 H LEU A 79 86.715 0.776 3.699 1.00 0.00 H new ATOM 0 HA LEU A 79 88.123 2.763 2.121 1.00 0.00 H new ATOM 0 HB2 LEU A 79 86.851 0.486 1.526 1.00 0.00 H new ATOM 0 HB3 LEU A 79 85.493 1.570 1.296 1.00 0.00 H new ATOM 0 HG LEU A 79 86.939 2.990 -0.231 1.00 0.00 H new ATOM 0 HD11 LEU A 79 89.053 2.020 -1.096 1.00 0.00 H new ATOM 0 HD12 LEU A 79 89.156 2.329 0.654 1.00 0.00 H new ATOM 0 HD13 LEU A 79 88.909 0.671 0.056 1.00 0.00 H new ATOM 0 HD21 LEU A 79 86.855 1.360 -2.129 1.00 0.00 H new ATOM 0 HD22 LEU A 79 86.673 0.025 -0.967 1.00 0.00 H new ATOM 0 HD23 LEU A 79 85.389 1.246 -1.125 1.00 0.00 H new ATOM 1278 N SER A 80 85.176 3.508 3.358 1.00 0.00 N ATOM 1279 CA SER A 80 84.284 4.660 3.665 1.00 0.00 C ATOM 1280 C SER A 80 85.078 5.598 4.553 1.00 0.00 C ATOM 1281 O SER A 80 85.047 6.799 4.402 1.00 0.00 O ATOM 1282 CB SER A 80 83.033 4.184 4.404 1.00 0.00 C ATOM 1283 OG SER A 80 82.303 3.296 3.568 1.00 0.00 O ATOM 0 H SER A 80 84.881 2.618 3.759 1.00 0.00 H new ATOM 0 HA SER A 80 83.961 5.155 2.749 1.00 0.00 H new ATOM 0 HB2 SER A 80 83.313 3.682 5.330 1.00 0.00 H new ATOM 0 HB3 SER A 80 82.412 5.037 4.678 1.00 0.00 H new ATOM 0 HG SER A 80 81.833 3.809 2.878 1.00 0.00 H new ATOM 1289 N CYS A 81 85.825 5.038 5.464 1.00 0.00 N ATOM 1290 CA CYS A 81 86.655 5.878 6.352 1.00 0.00 C ATOM 1291 C CYS A 81 87.601 6.666 5.463 1.00 0.00 C ATOM 1292 O CYS A 81 87.851 7.834 5.687 1.00 0.00 O ATOM 1293 CB CYS A 81 87.465 4.995 7.304 1.00 0.00 C ATOM 1294 SG CYS A 81 88.255 6.031 8.561 1.00 0.00 S ATOM 0 H CYS A 81 85.892 4.033 5.627 1.00 0.00 H new ATOM 0 HA CYS A 81 86.030 6.541 6.950 1.00 0.00 H new ATOM 0 HB2 CYS A 81 86.814 4.261 7.779 1.00 0.00 H new ATOM 0 HB3 CYS A 81 88.220 4.439 6.748 1.00 0.00 H new ATOM 0 HG CYS A 81 88.942 5.282 9.372 1.00 0.00 H new ATOM 1300 N ILE A 82 88.111 6.050 4.426 1.00 0.00 N ATOM 1301 CA ILE A 82 89.012 6.819 3.522 1.00 0.00 C ATOM 1302 C ILE A 82 88.185 7.918 2.858 1.00 0.00 C ATOM 1303 O ILE A 82 88.625 9.040 2.712 1.00 0.00 O ATOM 1304 CB ILE A 82 89.629 5.912 2.452 1.00 0.00 C ATOM 1305 CG1 ILE A 82 90.642 4.962 3.104 1.00 0.00 C ATOM 1306 CG2 ILE A 82 90.350 6.776 1.410 1.00 0.00 C ATOM 1307 CD1 ILE A 82 91.087 3.886 2.102 1.00 0.00 C ATOM 0 H ILE A 82 87.948 5.076 4.173 1.00 0.00 H new ATOM 0 HA ILE A 82 89.830 7.246 4.101 1.00 0.00 H new ATOM 0 HB ILE A 82 88.841 5.332 1.972 1.00 0.00 H new ATOM 0 HG12 ILE A 82 91.508 5.526 3.451 1.00 0.00 H new ATOM 0 HG13 ILE A 82 90.197 4.491 3.980 1.00 0.00 H new ATOM 0 HG21 ILE A 82 90.790 6.134 0.647 1.00 0.00 H new ATOM 0 HG22 ILE A 82 89.636 7.456 0.945 1.00 0.00 H new ATOM 0 HG23 ILE A 82 91.136 7.353 1.897 1.00 0.00 H new ATOM 0 HD11 ILE A 82 91.806 3.220 2.579 1.00 0.00 H new ATOM 0 HD12 ILE A 82 90.220 3.311 1.776 1.00 0.00 H new ATOM 0 HD13 ILE A 82 91.552 4.363 1.239 1.00 0.00 H new ATOM 1319 N ALA A 83 86.975 7.612 2.474 1.00 0.00 N ATOM 1320 CA ALA A 83 86.121 8.655 1.846 1.00 0.00 C ATOM 1321 C ALA A 83 85.833 9.732 2.888 1.00 0.00 C ATOM 1322 O ALA A 83 85.857 10.909 2.606 1.00 0.00 O ATOM 1323 CB ALA A 83 84.806 8.038 1.382 1.00 0.00 C ATOM 0 H ALA A 83 86.545 6.692 2.568 1.00 0.00 H new ATOM 0 HA ALA A 83 86.633 9.085 0.985 1.00 0.00 H new ATOM 0 HB1 ALA A 83 84.185 8.807 0.923 1.00 0.00 H new ATOM 0 HB2 ALA A 83 85.009 7.253 0.653 1.00 0.00 H new ATOM 0 HB3 ALA A 83 84.282 7.612 2.238 1.00 0.00 H new ATOM 1329 N MET A 84 85.579 9.331 4.100 1.00 0.00 N ATOM 1330 CA MET A 84 85.312 10.327 5.170 1.00 0.00 C ATOM 1331 C MET A 84 86.541 11.212 5.306 1.00 0.00 C ATOM 1332 O MET A 84 86.446 12.394 5.570 1.00 0.00 O ATOM 1333 CB MET A 84 85.030 9.609 6.492 1.00 0.00 C ATOM 1334 CG MET A 84 83.701 8.853 6.388 1.00 0.00 C ATOM 1335 SD MET A 84 82.329 10.030 6.474 1.00 0.00 S ATOM 1336 CE MET A 84 81.477 9.506 4.965 1.00 0.00 C ATOM 0 H MET A 84 85.545 8.355 4.396 1.00 0.00 H new ATOM 0 HA MET A 84 84.441 10.931 4.917 1.00 0.00 H new ATOM 0 HB2 MET A 84 85.839 8.915 6.721 1.00 0.00 H new ATOM 0 HB3 MET A 84 84.988 10.330 7.308 1.00 0.00 H new ATOM 0 HG2 MET A 84 83.659 8.297 5.451 1.00 0.00 H new ATOM 0 HG3 MET A 84 83.621 8.125 7.195 1.00 0.00 H new ATOM 0 HE1 MET A 84 80.485 9.957 4.932 1.00 0.00 H new ATOM 0 HE2 MET A 84 82.050 9.825 4.094 1.00 0.00 H new ATOM 0 HE3 MET A 84 81.382 8.420 4.959 1.00 0.00 H new ATOM 1346 N MET A 85 87.697 10.649 5.106 1.00 0.00 N ATOM 1347 CA MET A 85 88.928 11.462 5.202 1.00 0.00 C ATOM 1348 C MET A 85 88.814 12.566 4.156 1.00 0.00 C ATOM 1349 O MET A 85 89.159 13.704 4.404 1.00 0.00 O ATOM 1350 CB MET A 85 90.156 10.590 4.920 1.00 0.00 C ATOM 1351 CG MET A 85 91.428 11.353 5.295 1.00 0.00 C ATOM 1352 SD MET A 85 92.874 10.444 4.691 1.00 0.00 S ATOM 1353 CE MET A 85 92.682 8.976 5.733 1.00 0.00 C ATOM 0 H MET A 85 87.838 9.664 4.881 1.00 0.00 H new ATOM 0 HA MET A 85 89.041 11.884 6.201 1.00 0.00 H new ATOM 0 HB2 MET A 85 90.095 9.663 5.491 1.00 0.00 H new ATOM 0 HB3 MET A 85 90.184 10.314 3.866 1.00 0.00 H new ATOM 0 HG2 MET A 85 91.406 12.353 4.862 1.00 0.00 H new ATOM 0 HG3 MET A 85 91.487 11.475 6.377 1.00 0.00 H new ATOM 0 HE1 MET A 85 93.665 8.597 6.012 1.00 0.00 H new ATOM 0 HE2 MET A 85 92.126 9.239 6.633 1.00 0.00 H new ATOM 0 HE3 MET A 85 92.140 8.207 5.182 1.00 0.00 H new ATOM 1363 N CYS A 86 88.304 12.251 2.989 1.00 0.00 N ATOM 1364 CA CYS A 86 88.148 13.310 1.956 1.00 0.00 C ATOM 1365 C CYS A 86 87.306 12.789 0.779 1.00 0.00 C ATOM 1366 O CYS A 86 87.808 12.547 -0.300 1.00 0.00 O ATOM 1367 CB CYS A 86 89.540 13.760 1.474 1.00 0.00 C ATOM 1368 SG CYS A 86 90.058 15.241 2.380 1.00 0.00 S ATOM 0 H CYS A 86 87.994 11.319 2.714 1.00 0.00 H new ATOM 0 HA CYS A 86 87.628 14.165 2.389 1.00 0.00 H new ATOM 0 HB2 CYS A 86 90.263 12.959 1.626 1.00 0.00 H new ATOM 0 HB3 CYS A 86 89.514 13.968 0.404 1.00 0.00 H new ATOM 0 HG CYS A 86 89.929 15.036 3.657 1.00 0.00 H new ATOM 1374 N ASN A 87 86.026 12.631 0.981 1.00 0.00 N ATOM 1375 CA ASN A 87 85.147 12.148 -0.124 1.00 0.00 C ATOM 1376 C ASN A 87 85.193 13.162 -1.271 1.00 0.00 C ATOM 1377 O ASN A 87 85.225 12.809 -2.433 1.00 0.00 O ATOM 1378 CB ASN A 87 83.708 12.018 0.382 1.00 0.00 C ATOM 1379 CG ASN A 87 82.811 11.515 -0.750 1.00 0.00 C ATOM 1380 OD1 ASN A 87 82.867 10.259 -1.100 1.00 0.00 O flip ATOM 1381 ND2 ASN A 87 82.050 12.270 -1.321 1.00 0.00 N flip ATOM 0 H ASN A 87 85.550 12.816 1.864 1.00 0.00 H new ATOM 0 HA ASN A 87 85.494 11.175 -0.472 1.00 0.00 H new ATOM 0 HB2 ASN A 87 83.669 11.328 1.225 1.00 0.00 H new ATOM 0 HB3 ASN A 87 83.350 12.982 0.743 1.00 0.00 H new ATOM 0 HD21 ASN A 87 82.005 13.252 -1.048 1.00 0.00 H new ATOM 0 HD22 ASN A 87 81.455 11.922 -2.073 1.00 0.00 H new ATOM 1388 N GLU A 88 85.195 14.425 -0.938 1.00 0.00 N ATOM 1389 CA GLU A 88 85.238 15.491 -1.980 1.00 0.00 C ATOM 1390 C GLU A 88 86.646 15.572 -2.565 1.00 0.00 C ATOM 1391 O GLU A 88 86.891 16.292 -3.509 1.00 0.00 O ATOM 1392 CB GLU A 88 84.885 16.837 -1.345 1.00 0.00 C ATOM 1393 CG GLU A 88 83.439 16.808 -0.852 1.00 0.00 C ATOM 1394 CD GLU A 88 83.090 18.156 -0.219 1.00 0.00 C ATOM 1395 OE1 GLU A 88 83.886 19.073 -0.348 1.00 0.00 O ATOM 1396 OE2 GLU A 88 82.037 18.248 0.391 1.00 0.00 O ATOM 0 H GLU A 88 85.168 14.767 0.023 1.00 0.00 H new ATOM 0 HA GLU A 88 84.523 15.256 -2.768 1.00 0.00 H new ATOM 0 HB2 GLU A 88 85.559 17.046 -0.514 1.00 0.00 H new ATOM 0 HB3 GLU A 88 85.016 17.639 -2.072 1.00 0.00 H new ATOM 0 HG2 GLU A 88 82.764 16.598 -1.682 1.00 0.00 H new ATOM 0 HG3 GLU A 88 83.307 16.007 -0.124 1.00 0.00 H new ATOM 1403 N PHE A 89 87.571 14.857 -1.981 1.00 0.00 N ATOM 1404 CA PHE A 89 88.987 14.880 -2.456 1.00 0.00 C ATOM 1405 C PHE A 89 89.572 16.277 -2.242 1.00 0.00 C ATOM 1406 O PHE A 89 90.716 16.534 -2.561 1.00 0.00 O ATOM 1407 CB PHE A 89 89.068 14.500 -3.940 1.00 0.00 C ATOM 1408 CG PHE A 89 88.343 13.197 -4.160 1.00 0.00 C ATOM 1409 CD1 PHE A 89 88.968 11.989 -3.832 1.00 0.00 C ATOM 1410 CD2 PHE A 89 87.045 13.196 -4.685 1.00 0.00 C ATOM 1411 CE1 PHE A 89 88.296 10.777 -4.028 1.00 0.00 C ATOM 1412 CE2 PHE A 89 86.373 11.982 -4.882 1.00 0.00 C ATOM 1413 CZ PHE A 89 86.999 10.774 -4.554 1.00 0.00 C ATOM 0 H PHE A 89 87.402 14.247 -1.181 1.00 0.00 H new ATOM 0 HA PHE A 89 89.562 14.151 -1.885 1.00 0.00 H new ATOM 0 HB2 PHE A 89 88.624 15.284 -4.553 1.00 0.00 H new ATOM 0 HB3 PHE A 89 90.110 14.406 -4.247 1.00 0.00 H new ATOM 0 HD1 PHE A 89 89.969 11.992 -3.427 1.00 0.00 H new ATOM 0 HD2 PHE A 89 86.563 14.129 -4.938 1.00 0.00 H new ATOM 0 HE1 PHE A 89 88.778 9.845 -3.774 1.00 0.00 H new ATOM 0 HE2 PHE A 89 85.372 11.979 -5.287 1.00 0.00 H new ATOM 0 HZ PHE A 89 86.481 9.839 -4.707 1.00 0.00 H new ATOM 1423 N PHE A 90 88.795 17.178 -1.687 1.00 0.00 N ATOM 1424 CA PHE A 90 89.291 18.566 -1.422 1.00 0.00 C ATOM 1425 C PHE A 90 89.253 18.833 0.085 1.00 0.00 C ATOM 1426 O PHE A 90 90.217 18.615 0.791 1.00 0.00 O ATOM 1427 CB PHE A 90 88.388 19.574 -2.137 1.00 0.00 C ATOM 1428 CG PHE A 90 88.513 19.391 -3.633 1.00 0.00 C ATOM 1429 CD1 PHE A 90 89.705 19.735 -4.282 1.00 0.00 C ATOM 1430 CD2 PHE A 90 87.438 18.878 -4.371 1.00 0.00 C ATOM 1431 CE1 PHE A 90 89.822 19.567 -5.668 1.00 0.00 C ATOM 1432 CE2 PHE A 90 87.555 18.710 -5.756 1.00 0.00 C ATOM 1433 CZ PHE A 90 88.747 19.055 -6.404 1.00 0.00 C ATOM 0 H PHE A 90 87.830 17.009 -1.404 1.00 0.00 H new ATOM 0 HA PHE A 90 90.312 18.667 -1.789 1.00 0.00 H new ATOM 0 HB2 PHE A 90 87.352 19.433 -1.828 1.00 0.00 H new ATOM 0 HB3 PHE A 90 88.668 20.590 -1.860 1.00 0.00 H new ATOM 0 HD1 PHE A 90 90.534 20.130 -3.714 1.00 0.00 H new ATOM 0 HD2 PHE A 90 86.518 18.612 -3.871 1.00 0.00 H new ATOM 0 HE1 PHE A 90 90.741 19.832 -6.168 1.00 0.00 H new ATOM 0 HE2 PHE A 90 86.726 18.314 -6.324 1.00 0.00 H new ATOM 0 HZ PHE A 90 88.837 18.926 -7.472 1.00 0.00 H new ATOM 1443 N GLU A 91 88.139 19.303 0.580 1.00 0.00 N ATOM 1444 CA GLU A 91 88.024 19.587 2.041 1.00 0.00 C ATOM 1445 C GLU A 91 87.703 18.290 2.788 1.00 0.00 C ATOM 1446 O GLU A 91 86.799 17.562 2.426 1.00 0.00 O ATOM 1447 CB GLU A 91 86.910 20.611 2.278 1.00 0.00 C ATOM 1448 CG GLU A 91 86.824 20.942 3.772 1.00 0.00 C ATOM 1449 CD GLU A 91 85.738 21.994 4.001 1.00 0.00 C ATOM 1450 OE1 GLU A 91 85.253 22.540 3.024 1.00 0.00 O ATOM 1451 OE2 GLU A 91 85.410 22.238 5.150 1.00 0.00 O ATOM 0 H GLU A 91 87.301 19.503 0.034 1.00 0.00 H new ATOM 0 HA GLU A 91 88.967 19.991 2.409 1.00 0.00 H new ATOM 0 HB2 GLU A 91 87.108 21.517 1.705 1.00 0.00 H new ATOM 0 HB3 GLU A 91 85.957 20.214 1.928 1.00 0.00 H new ATOM 0 HG2 GLU A 91 86.598 20.041 4.342 1.00 0.00 H new ATOM 0 HG3 GLU A 91 87.785 21.313 4.129 1.00 0.00 H new ATOM 1458 N GLY A 92 88.439 17.993 3.825 1.00 0.00 N ATOM 1459 CA GLY A 92 88.179 16.741 4.595 1.00 0.00 C ATOM 1460 C GLY A 92 87.087 16.985 5.639 1.00 0.00 C ATOM 1461 O GLY A 92 87.126 17.944 6.384 1.00 0.00 O ATOM 0 H GLY A 92 89.210 18.563 4.173 1.00 0.00 H new ATOM 0 HA2 GLY A 92 87.874 15.944 3.917 1.00 0.00 H new ATOM 0 HA3 GLY A 92 89.094 16.409 5.085 1.00 0.00 H new ATOM 1465 N PHE A 93 86.113 16.113 5.702 1.00 0.00 N ATOM 1466 CA PHE A 93 85.007 16.263 6.696 1.00 0.00 C ATOM 1467 C PHE A 93 85.248 15.274 7.859 1.00 0.00 C ATOM 1468 O PHE A 93 85.154 14.079 7.657 1.00 0.00 O ATOM 1469 CB PHE A 93 83.680 15.915 6.015 1.00 0.00 C ATOM 1470 CG PHE A 93 83.293 17.025 5.060 1.00 0.00 C ATOM 1471 CD1 PHE A 93 84.060 17.262 3.911 1.00 0.00 C ATOM 1472 CD2 PHE A 93 82.167 17.819 5.323 1.00 0.00 C ATOM 1473 CE1 PHE A 93 83.704 18.289 3.031 1.00 0.00 C ATOM 1474 CE2 PHE A 93 81.812 18.846 4.440 1.00 0.00 C ATOM 1475 CZ PHE A 93 82.581 19.082 3.295 1.00 0.00 C ATOM 0 H PHE A 93 86.036 15.294 5.100 1.00 0.00 H new ATOM 0 HA PHE A 93 84.976 17.285 7.073 1.00 0.00 H new ATOM 0 HB2 PHE A 93 83.773 14.973 5.475 1.00 0.00 H new ATOM 0 HB3 PHE A 93 82.900 15.778 6.764 1.00 0.00 H new ATOM 0 HD1 PHE A 93 84.926 16.651 3.705 1.00 0.00 H new ATOM 0 HD2 PHE A 93 81.574 17.638 6.207 1.00 0.00 H new ATOM 0 HE1 PHE A 93 84.296 18.471 2.146 1.00 0.00 H new ATOM 0 HE2 PHE A 93 80.944 19.456 4.643 1.00 0.00 H new ATOM 0 HZ PHE A 93 82.308 19.876 2.615 1.00 0.00 H new ATOM 1485 N PRO A 94 85.564 15.724 9.063 1.00 0.00 N ATOM 1486 CA PRO A 94 85.808 14.763 10.177 1.00 0.00 C ATOM 1487 C PRO A 94 84.661 13.754 10.341 1.00 0.00 C ATOM 1488 O PRO A 94 83.504 14.116 10.423 1.00 0.00 O ATOM 1489 CB PRO A 94 85.935 15.690 11.401 1.00 0.00 C ATOM 1490 CG PRO A 94 86.113 17.131 10.892 1.00 0.00 C ATOM 1491 CD PRO A 94 85.698 17.172 9.408 1.00 0.00 C ATOM 0 HA PRO A 94 86.686 14.138 10.013 1.00 0.00 H new ATOM 0 HB2 PRO A 94 85.047 15.615 12.029 1.00 0.00 H new ATOM 0 HB3 PRO A 94 86.786 15.395 12.015 1.00 0.00 H new ATOM 0 HG2 PRO A 94 85.502 17.819 11.477 1.00 0.00 H new ATOM 0 HG3 PRO A 94 87.149 17.449 11.006 1.00 0.00 H new ATOM 0 HD2 PRO A 94 84.761 17.711 9.264 1.00 0.00 H new ATOM 0 HD3 PRO A 94 86.448 17.667 8.791 1.00 0.00 H new ATOM 1499 N ASP A 95 84.984 12.491 10.388 1.00 0.00 N ATOM 1500 CA ASP A 95 83.931 11.448 10.547 1.00 0.00 C ATOM 1501 C ASP A 95 82.785 11.714 9.558 1.00 0.00 C ATOM 1502 O ASP A 95 83.010 11.865 8.374 1.00 0.00 O ATOM 1503 CB ASP A 95 83.410 11.475 11.986 1.00 0.00 C ATOM 1504 CG ASP A 95 84.520 11.004 12.930 1.00 0.00 C ATOM 1505 OD1 ASP A 95 85.478 10.426 12.443 1.00 0.00 O ATOM 1506 OD2 ASP A 95 84.391 11.226 14.122 1.00 0.00 O ATOM 0 H ASP A 95 85.937 12.134 10.323 1.00 0.00 H new ATOM 0 HA ASP A 95 84.350 10.464 10.337 1.00 0.00 H new ATOM 0 HB2 ASP A 95 83.093 12.483 12.252 1.00 0.00 H new ATOM 0 HB3 ASP A 95 82.536 10.830 12.082 1.00 0.00 H new ATOM 1511 N LYS A 96 81.560 11.768 10.021 1.00 0.00 N ATOM 1512 CA LYS A 96 80.419 12.017 9.084 1.00 0.00 C ATOM 1513 C LYS A 96 80.164 13.523 8.964 1.00 0.00 C ATOM 1514 O LYS A 96 80.578 14.158 8.016 1.00 0.00 O ATOM 1515 CB LYS A 96 79.155 11.348 9.630 1.00 0.00 C ATOM 1516 CG LYS A 96 79.347 9.831 9.690 1.00 0.00 C ATOM 1517 CD LYS A 96 78.071 9.184 10.239 1.00 0.00 C ATOM 1518 CE LYS A 96 78.247 7.664 10.319 1.00 0.00 C ATOM 1519 NZ LYS A 96 78.051 7.062 8.969 1.00 0.00 N ATOM 0 H LYS A 96 81.301 11.651 11.001 1.00 0.00 H new ATOM 0 HA LYS A 96 80.668 11.606 8.106 1.00 0.00 H new ATOM 0 HB2 LYS A 96 78.931 11.734 10.625 1.00 0.00 H new ATOM 0 HB3 LYS A 96 78.303 11.590 8.995 1.00 0.00 H new ATOM 0 HG2 LYS A 96 79.569 9.441 8.697 1.00 0.00 H new ATOM 0 HG3 LYS A 96 80.197 9.585 10.326 1.00 0.00 H new ATOM 0 HD2 LYS A 96 77.846 9.585 11.227 1.00 0.00 H new ATOM 0 HD3 LYS A 96 77.225 9.427 9.597 1.00 0.00 H new ATOM 0 HE2 LYS A 96 79.242 7.423 10.694 1.00 0.00 H new ATOM 0 HE3 LYS A 96 77.530 7.242 11.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 77.686 6.093 9.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 77.370 7.634 8.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 78.960 7.038 8.464 1.00 0.00 H new ATOM 1533 N GLN A 97 79.480 14.097 9.927 1.00 0.00 N ATOM 1534 CA GLN A 97 79.184 15.565 9.889 1.00 0.00 C ATOM 1535 C GLN A 97 80.125 16.290 10.867 1.00 0.00 C ATOM 1536 O GLN A 97 80.544 15.713 11.850 1.00 0.00 O ATOM 1537 CB GLN A 97 77.725 15.794 10.315 1.00 0.00 C ATOM 1538 CG GLN A 97 77.378 14.884 11.500 1.00 0.00 C ATOM 1539 CD GLN A 97 76.142 15.430 12.227 1.00 0.00 C ATOM 1540 OE1 GLN A 97 76.236 16.384 12.974 1.00 0.00 O ATOM 1541 NE2 GLN A 97 74.982 14.865 12.036 1.00 0.00 N ATOM 0 H GLN A 97 79.112 13.607 10.743 1.00 0.00 H new ATOM 0 HA GLN A 97 79.334 15.952 8.881 1.00 0.00 H new ATOM 0 HB2 GLN A 97 77.577 16.838 10.592 1.00 0.00 H new ATOM 0 HB3 GLN A 97 77.056 15.588 9.479 1.00 0.00 H new ATOM 0 HG2 GLN A 97 77.187 13.870 11.148 1.00 0.00 H new ATOM 0 HG3 GLN A 97 78.222 14.829 12.188 1.00 0.00 H new ATOM 0 HE21 GLN A 97 74.902 14.064 11.409 1.00 0.00 H new ATOM 0 HE22 GLN A 97 74.155 15.224 12.513 1.00 0.00 H new ATOM 1550 N PRO A 98 80.460 17.542 10.623 1.00 0.00 N ATOM 1551 CA PRO A 98 81.363 18.279 11.549 1.00 0.00 C ATOM 1552 C PRO A 98 80.934 18.112 13.014 1.00 0.00 C ATOM 1553 O PRO A 98 79.817 18.415 13.384 1.00 0.00 O ATOM 1554 CB PRO A 98 81.224 19.740 11.068 1.00 0.00 C ATOM 1555 CG PRO A 98 80.349 19.754 9.793 1.00 0.00 C ATOM 1556 CD PRO A 98 79.978 18.303 9.436 1.00 0.00 C ATOM 0 HA PRO A 98 82.391 17.918 11.527 1.00 0.00 H new ATOM 0 HB2 PRO A 98 80.770 20.354 11.846 1.00 0.00 H new ATOM 0 HB3 PRO A 98 82.206 20.165 10.859 1.00 0.00 H new ATOM 0 HG2 PRO A 98 79.448 20.345 9.959 1.00 0.00 H new ATOM 0 HG3 PRO A 98 80.889 20.220 8.969 1.00 0.00 H new ATOM 0 HD2 PRO A 98 78.905 18.184 9.287 1.00 0.00 H new ATOM 0 HD3 PRO A 98 80.466 17.974 8.518 1.00 0.00 H new ATOM 1564 N ARG A 99 81.812 17.619 13.843 1.00 0.00 N ATOM 1565 CA ARG A 99 81.460 17.416 15.277 1.00 0.00 C ATOM 1566 C ARG A 99 81.598 18.739 16.040 1.00 0.00 C ATOM 1567 O ARG A 99 81.173 18.862 17.171 1.00 0.00 O ATOM 1568 CB ARG A 99 82.416 16.378 15.871 1.00 0.00 C ATOM 1569 CG ARG A 99 82.005 16.047 17.307 1.00 0.00 C ATOM 1570 CD ARG A 99 82.832 14.862 17.810 1.00 0.00 C ATOM 1571 NE ARG A 99 84.273 15.241 17.846 1.00 0.00 N ATOM 1572 CZ ARG A 99 85.120 14.515 18.523 1.00 0.00 C ATOM 1573 NH1 ARG A 99 84.705 13.460 19.169 1.00 0.00 N ATOM 1574 NH2 ARG A 99 86.384 14.845 18.557 1.00 0.00 N ATOM 0 H ARG A 99 82.761 17.347 13.588 1.00 0.00 H new ATOM 0 HA ARG A 99 80.430 17.068 15.360 1.00 0.00 H new ATOM 0 HB2 ARG A 99 82.406 15.473 15.264 1.00 0.00 H new ATOM 0 HB3 ARG A 99 83.436 16.761 15.855 1.00 0.00 H new ATOM 0 HG2 ARG A 99 82.160 16.913 17.951 1.00 0.00 H new ATOM 0 HG3 ARG A 99 80.943 15.807 17.347 1.00 0.00 H new ATOM 0 HD2 ARG A 99 82.498 14.568 18.805 1.00 0.00 H new ATOM 0 HD3 ARG A 99 82.688 14.001 17.157 1.00 0.00 H new ATOM 0 HE ARG A 99 84.597 16.067 17.342 1.00 0.00 H new ATOM 0 HH11 ARG A 99 83.718 13.203 19.145 1.00 0.00 H new ATOM 0 HH12 ARG A 99 85.367 12.893 19.698 1.00 0.00 H new ATOM 0 HH21 ARG A 99 86.709 15.671 18.054 1.00 0.00 H new ATOM 0 HH22 ARG A 99 87.045 14.277 19.086 1.00 0.00 H new ATOM 1588 N LYS A 100 82.185 19.731 15.430 1.00 0.00 N ATOM 1589 CA LYS A 100 82.349 21.041 16.124 1.00 0.00 C ATOM 1590 C LYS A 100 80.987 21.724 16.269 1.00 0.00 C ATOM 1591 O LYS A 100 80.134 21.619 15.409 1.00 0.00 O ATOM 1592 CB LYS A 100 83.288 21.933 15.307 1.00 0.00 C ATOM 1593 CG LYS A 100 84.710 21.374 15.382 1.00 0.00 C ATOM 1594 CD LYS A 100 85.621 22.130 14.407 1.00 0.00 C ATOM 1595 CE LYS A 100 85.806 23.584 14.866 1.00 0.00 C ATOM 1596 NZ LYS A 100 84.657 24.406 14.393 1.00 0.00 N ATOM 0 H LYS A 100 82.558 19.692 14.482 1.00 0.00 H new ATOM 0 HA LYS A 100 82.773 20.876 17.115 1.00 0.00 H new ATOM 0 HB2 LYS A 100 82.956 21.976 14.270 1.00 0.00 H new ATOM 0 HB3 LYS A 100 83.265 22.953 15.691 1.00 0.00 H new ATOM 0 HG2 LYS A 100 85.093 21.467 16.398 1.00 0.00 H new ATOM 0 HG3 LYS A 100 84.705 20.311 15.139 1.00 0.00 H new ATOM 0 HD2 LYS A 100 86.590 21.635 14.346 1.00 0.00 H new ATOM 0 HD3 LYS A 100 85.190 22.110 13.406 1.00 0.00 H new ATOM 0 HE2 LYS A 100 85.874 23.627 15.953 1.00 0.00 H new ATOM 0 HE3 LYS A 100 86.740 23.985 14.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 85.012 25.216 13.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 84.039 23.825 13.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 84.117 24.751 15.212 1.00 0.00 H new ATOM 1610 N LYS A 101 80.775 22.425 17.353 1.00 0.00 N ATOM 1611 CA LYS A 101 79.469 23.121 17.562 1.00 0.00 C ATOM 1612 C LYS A 101 79.592 24.578 17.109 1.00 0.00 C ATOM 1613 O LYS A 101 80.373 25.299 17.707 1.00 0.00 O ATOM 1614 CB LYS A 101 79.103 23.081 19.046 1.00 0.00 C ATOM 1615 CG LYS A 101 77.751 23.767 19.257 1.00 0.00 C ATOM 1616 CD LYS A 101 77.259 23.515 20.687 1.00 0.00 C ATOM 1617 CE LYS A 101 78.265 24.079 21.698 1.00 0.00 C ATOM 1618 NZ LYS A 101 78.773 25.396 21.221 1.00 0.00 N ATOM 1619 OXT LYS A 101 78.903 24.948 16.173 1.00 0.00 O ATOM 0 H LYS A 101 81.453 22.546 18.106 1.00 0.00 H new ATOM 0 HA LYS A 101 78.693 22.622 16.982 1.00 0.00 H new ATOM 0 HB2 LYS A 101 79.057 22.049 19.392 1.00 0.00 H new ATOM 0 HB3 LYS A 101 79.872 23.581 19.635 1.00 0.00 H new ATOM 0 HG2 LYS A 101 77.844 24.838 19.078 1.00 0.00 H new ATOM 0 HG3 LYS A 101 77.024 23.386 18.540 1.00 0.00 H new ATOM 0 HD2 LYS A 101 76.285 23.982 20.832 1.00 0.00 H new ATOM 0 HD3 LYS A 101 77.127 22.446 20.851 1.00 0.00 H new ATOM 0 HE2 LYS A 101 77.790 24.193 22.673 1.00 0.00 H new ATOM 0 HE3 LYS A 101 79.094 23.384 21.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 79.140 25.939 22.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 79.535 25.244 20.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 77.998 25.925 20.772 1.00 0.00 H new TER 1633 LYS A 101 ATOM 1634 N MET B 1 98.365 -6.838 -9.570 1.00 0.00 N ATOM 1635 CA MET B 1 98.711 -5.388 -9.570 1.00 0.00 C ATOM 1636 C MET B 1 97.427 -4.563 -9.445 1.00 0.00 C ATOM 1637 O MET B 1 96.684 -4.406 -10.393 1.00 0.00 O ATOM 1638 CB MET B 1 99.423 -5.037 -10.878 1.00 0.00 C ATOM 1639 CG MET B 1 100.775 -5.753 -10.933 1.00 0.00 C ATOM 1640 SD MET B 1 101.618 -5.337 -12.480 1.00 0.00 S ATOM 1641 CE MET B 1 103.096 -6.349 -12.218 1.00 0.00 C ATOM 0 H1 MET B 1 99.205 -7.395 -9.316 1.00 0.00 H new ATOM 0 H2 MET B 1 97.610 -7.015 -8.877 1.00 0.00 H new ATOM 0 H3 MET B 1 98.038 -7.117 -10.517 1.00 0.00 H new ATOM 0 HA MET B 1 99.369 -5.166 -8.730 1.00 0.00 H new ATOM 0 HB2 MET B 1 98.809 -5.332 -11.729 1.00 0.00 H new ATOM 0 HB3 MET B 1 99.568 -3.959 -10.947 1.00 0.00 H new ATOM 0 HG2 MET B 1 101.389 -5.459 -10.082 1.00 0.00 H new ATOM 0 HG3 MET B 1 100.630 -6.831 -10.864 1.00 0.00 H new ATOM 0 HE1 MET B 1 103.767 -6.240 -13.070 1.00 0.00 H new ATOM 0 HE2 MET B 1 103.605 -6.022 -11.311 1.00 0.00 H new ATOM 0 HE3 MET B 1 102.807 -7.395 -12.115 1.00 0.00 H new ATOM 1653 N ALA B 2 97.158 -4.043 -8.278 1.00 0.00 N ATOM 1654 CA ALA B 2 95.918 -3.236 -8.085 1.00 0.00 C ATOM 1655 C ALA B 2 96.124 -1.822 -8.635 1.00 0.00 C ATOM 1656 O ALA B 2 97.235 -1.340 -8.736 1.00 0.00 O ATOM 1657 CB ALA B 2 95.596 -3.160 -6.591 1.00 0.00 C ATOM 0 H ALA B 2 97.744 -4.142 -7.449 1.00 0.00 H new ATOM 0 HA ALA B 2 95.093 -3.708 -8.618 1.00 0.00 H new ATOM 0 HB1 ALA B 2 94.691 -2.571 -6.443 1.00 0.00 H new ATOM 0 HB2 ALA B 2 95.443 -4.166 -6.200 1.00 0.00 H new ATOM 0 HB3 ALA B 2 96.425 -2.689 -6.064 1.00 0.00 H new ATOM 1663 N CYS B 3 95.057 -1.152 -8.985 1.00 0.00 N ATOM 1664 CA CYS B 3 95.183 0.233 -9.525 1.00 0.00 C ATOM 1665 C CYS B 3 93.793 0.771 -9.931 1.00 0.00 C ATOM 1666 O CYS B 3 93.434 1.870 -9.554 1.00 0.00 O ATOM 1667 CB CYS B 3 96.184 0.250 -10.720 1.00 0.00 C ATOM 1668 SG CYS B 3 95.478 1.070 -12.183 1.00 0.00 S ATOM 0 H CYS B 3 94.102 -1.505 -8.920 1.00 0.00 H new ATOM 0 HA CYS B 3 95.579 0.892 -8.752 1.00 0.00 H new ATOM 0 HB2 CYS B 3 97.098 0.764 -10.421 1.00 0.00 H new ATOM 0 HB3 CYS B 3 96.462 -0.772 -10.975 1.00 0.00 H new ATOM 0 HG CYS B 3 96.349 1.061 -13.148 1.00 0.00 H new ATOM 1674 N PRO B 4 93.014 0.035 -10.701 1.00 0.00 N ATOM 1675 CA PRO B 4 91.676 0.542 -11.124 1.00 0.00 C ATOM 1676 C PRO B 4 90.744 0.820 -9.935 1.00 0.00 C ATOM 1677 O PRO B 4 89.695 1.414 -10.084 1.00 0.00 O ATOM 1678 CB PRO B 4 91.143 -0.598 -12.018 1.00 0.00 C ATOM 1679 CG PRO B 4 92.263 -1.641 -12.196 1.00 0.00 C ATOM 1680 CD PRO B 4 93.389 -1.324 -11.195 1.00 0.00 C ATOM 0 HA PRO B 4 91.735 1.502 -11.636 1.00 0.00 H new ATOM 0 HB2 PRO B 4 90.266 -1.058 -11.563 1.00 0.00 H new ATOM 0 HB3 PRO B 4 90.832 -0.207 -12.987 1.00 0.00 H new ATOM 0 HG2 PRO B 4 91.876 -2.645 -12.025 1.00 0.00 H new ATOM 0 HG3 PRO B 4 92.645 -1.616 -13.216 1.00 0.00 H new ATOM 0 HD2 PRO B 4 93.428 -2.053 -10.385 1.00 0.00 H new ATOM 0 HD3 PRO B 4 94.369 -1.325 -11.673 1.00 0.00 H new ATOM 1688 N LEU B 5 91.118 0.395 -8.765 1.00 0.00 N ATOM 1689 CA LEU B 5 90.255 0.635 -7.576 1.00 0.00 C ATOM 1690 C LEU B 5 90.073 2.144 -7.392 1.00 0.00 C ATOM 1691 O LEU B 5 89.016 2.612 -7.020 1.00 0.00 O ATOM 1692 CB LEU B 5 90.920 0.032 -6.333 1.00 0.00 C ATOM 1693 CG LEU B 5 90.048 0.266 -5.089 1.00 0.00 C ATOM 1694 CD1 LEU B 5 88.705 -0.471 -5.239 1.00 0.00 C ATOM 1695 CD2 LEU B 5 90.789 -0.265 -3.857 1.00 0.00 C ATOM 0 H LEU B 5 91.985 -0.109 -8.578 1.00 0.00 H new ATOM 0 HA LEU B 5 89.282 0.166 -7.720 1.00 0.00 H new ATOM 0 HB2 LEU B 5 91.076 -1.037 -6.479 1.00 0.00 H new ATOM 0 HB3 LEU B 5 91.902 0.480 -6.185 1.00 0.00 H new ATOM 0 HG LEU B 5 89.853 1.333 -4.977 1.00 0.00 H new ATOM 0 HD11 LEU B 5 88.095 -0.299 -4.353 1.00 0.00 H new ATOM 0 HD12 LEU B 5 88.181 -0.097 -6.119 1.00 0.00 H new ATOM 0 HD13 LEU B 5 88.887 -1.540 -5.352 1.00 0.00 H new ATOM 0 HD21 LEU B 5 90.179 -0.104 -2.968 1.00 0.00 H new ATOM 0 HD22 LEU B 5 90.979 -1.331 -3.978 1.00 0.00 H new ATOM 0 HD23 LEU B 5 91.737 0.262 -3.747 1.00 0.00 H new ATOM 1707 N GLU B 6 91.101 2.909 -7.641 1.00 0.00 N ATOM 1708 CA GLU B 6 90.998 4.387 -7.467 1.00 0.00 C ATOM 1709 C GLU B 6 89.909 4.954 -8.379 1.00 0.00 C ATOM 1710 O GLU B 6 89.109 5.771 -7.968 1.00 0.00 O ATOM 1711 CB GLU B 6 92.338 5.021 -7.848 1.00 0.00 C ATOM 1712 CG GLU B 6 93.392 4.669 -6.799 1.00 0.00 C ATOM 1713 CD GLU B 6 94.730 5.305 -7.182 1.00 0.00 C ATOM 1714 OE1 GLU B 6 94.831 5.806 -8.289 1.00 0.00 O ATOM 1715 OE2 GLU B 6 95.633 5.276 -6.361 1.00 0.00 O ATOM 0 H GLU B 6 92.010 2.574 -7.958 1.00 0.00 H new ATOM 0 HA GLU B 6 90.747 4.609 -6.430 1.00 0.00 H new ATOM 0 HB2 GLU B 6 92.654 4.665 -8.829 1.00 0.00 H new ATOM 0 HB3 GLU B 6 92.231 6.103 -7.921 1.00 0.00 H new ATOM 0 HG2 GLU B 6 93.076 5.025 -5.818 1.00 0.00 H new ATOM 0 HG3 GLU B 6 93.500 3.587 -6.726 1.00 0.00 H new ATOM 1722 N LYS B 7 89.865 4.531 -9.610 1.00 0.00 N ATOM 1723 CA LYS B 7 88.821 5.052 -10.531 1.00 0.00 C ATOM 1724 C LYS B 7 87.482 4.473 -10.114 1.00 0.00 C ATOM 1725 O LYS B 7 86.500 5.169 -9.968 1.00 0.00 O ATOM 1726 CB LYS B 7 89.138 4.619 -11.961 1.00 0.00 C ATOM 1727 CG LYS B 7 90.592 4.961 -12.273 1.00 0.00 C ATOM 1728 CD LYS B 7 90.850 4.832 -13.778 1.00 0.00 C ATOM 1729 CE LYS B 7 90.637 3.384 -14.229 1.00 0.00 C ATOM 1730 NZ LYS B 7 89.182 3.132 -14.423 1.00 0.00 N ATOM 0 H LYS B 7 90.505 3.849 -10.017 1.00 0.00 H new ATOM 0 HA LYS B 7 88.792 6.141 -10.486 1.00 0.00 H new ATOM 0 HB2 LYS B 7 88.970 3.548 -12.076 1.00 0.00 H new ATOM 0 HB3 LYS B 7 88.474 5.123 -12.663 1.00 0.00 H new ATOM 0 HG2 LYS B 7 90.814 5.976 -11.943 1.00 0.00 H new ATOM 0 HG3 LYS B 7 91.257 4.295 -11.723 1.00 0.00 H new ATOM 0 HD2 LYS B 7 90.180 5.494 -14.327 1.00 0.00 H new ATOM 0 HD3 LYS B 7 91.868 5.146 -14.008 1.00 0.00 H new ATOM 0 HE2 LYS B 7 91.176 3.198 -15.158 1.00 0.00 H new ATOM 0 HE3 LYS B 7 91.040 2.697 -13.484 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 88.838 2.494 -13.678 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 88.664 4.033 -14.374 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 89.027 2.694 -15.353 1.00 0.00 H new ATOM 1744 N ALA B 8 87.443 3.196 -9.890 1.00 0.00 N ATOM 1745 CA ALA B 8 86.175 2.575 -9.449 1.00 0.00 C ATOM 1746 C ALA B 8 85.793 3.242 -8.137 1.00 0.00 C ATOM 1747 O ALA B 8 84.652 3.576 -7.896 1.00 0.00 O ATOM 1748 CB ALA B 8 86.366 1.068 -9.262 1.00 0.00 C ATOM 0 H ALA B 8 88.232 2.558 -9.993 1.00 0.00 H new ATOM 0 HA ALA B 8 85.387 2.711 -10.190 1.00 0.00 H new ATOM 0 HB1 ALA B 8 85.427 0.620 -8.937 1.00 0.00 H new ATOM 0 HB2 ALA B 8 86.674 0.620 -10.207 1.00 0.00 H new ATOM 0 HB3 ALA B 8 87.133 0.889 -8.509 1.00 0.00 H new ATOM 1754 N LEU B 9 86.759 3.488 -7.303 1.00 0.00 N ATOM 1755 CA LEU B 9 86.458 4.189 -6.040 1.00 0.00 C ATOM 1756 C LEU B 9 85.873 5.542 -6.417 1.00 0.00 C ATOM 1757 O LEU B 9 84.923 6.012 -5.823 1.00 0.00 O ATOM 1758 CB LEU B 9 87.735 4.365 -5.212 1.00 0.00 C ATOM 1759 CG LEU B 9 87.424 5.105 -3.903 1.00 0.00 C ATOM 1760 CD1 LEU B 9 86.385 4.326 -3.076 1.00 0.00 C ATOM 1761 CD2 LEU B 9 88.721 5.242 -3.097 1.00 0.00 C ATOM 0 H LEU B 9 87.737 3.234 -7.444 1.00 0.00 H new ATOM 0 HA LEU B 9 85.754 3.619 -5.433 1.00 0.00 H new ATOM 0 HB2 LEU B 9 88.171 3.391 -4.992 1.00 0.00 H new ATOM 0 HB3 LEU B 9 88.475 4.923 -5.786 1.00 0.00 H new ATOM 0 HG LEU B 9 87.015 6.089 -4.133 1.00 0.00 H new ATOM 0 HD11 LEU B 9 86.177 4.865 -2.152 1.00 0.00 H new ATOM 0 HD12 LEU B 9 85.465 4.223 -3.651 1.00 0.00 H new ATOM 0 HD13 LEU B 9 86.777 3.337 -2.838 1.00 0.00 H new ATOM 0 HD21 LEU B 9 88.516 5.766 -2.164 1.00 0.00 H new ATOM 0 HD22 LEU B 9 89.119 4.251 -2.877 1.00 0.00 H new ATOM 0 HD23 LEU B 9 89.452 5.806 -3.677 1.00 0.00 H new ATOM 1773 N ASP B 10 86.421 6.162 -7.430 1.00 0.00 N ATOM 1774 CA ASP B 10 85.872 7.470 -7.866 1.00 0.00 C ATOM 1775 C ASP B 10 84.484 7.230 -8.461 1.00 0.00 C ATOM 1776 O ASP B 10 83.593 8.043 -8.324 1.00 0.00 O ATOM 1777 CB ASP B 10 86.789 8.113 -8.912 1.00 0.00 C ATOM 1778 CG ASP B 10 88.098 8.544 -8.247 1.00 0.00 C ATOM 1779 OD1 ASP B 10 88.082 8.785 -7.051 1.00 0.00 O ATOM 1780 OD2 ASP B 10 89.097 8.618 -8.943 1.00 0.00 O ATOM 0 H ASP B 10 87.218 5.819 -7.967 1.00 0.00 H new ATOM 0 HA ASP B 10 85.806 8.147 -7.015 1.00 0.00 H new ATOM 0 HB2 ASP B 10 86.993 7.406 -9.716 1.00 0.00 H new ATOM 0 HB3 ASP B 10 86.296 8.975 -9.362 1.00 0.00 H new ATOM 1785 N VAL B 11 84.286 6.116 -9.127 1.00 0.00 N ATOM 1786 CA VAL B 11 82.943 5.845 -9.722 1.00 0.00 C ATOM 1787 C VAL B 11 81.901 5.816 -8.598 1.00 0.00 C ATOM 1788 O VAL B 11 80.815 6.342 -8.733 1.00 0.00 O ATOM 1789 CB VAL B 11 82.957 4.486 -10.443 1.00 0.00 C ATOM 1790 CG1 VAL B 11 81.537 4.093 -10.860 1.00 0.00 C ATOM 1791 CG2 VAL B 11 83.849 4.568 -11.688 1.00 0.00 C ATOM 0 H VAL B 11 84.988 5.393 -9.282 1.00 0.00 H new ATOM 0 HA VAL B 11 82.695 6.626 -10.441 1.00 0.00 H new ATOM 0 HB VAL B 11 83.350 3.732 -9.761 1.00 0.00 H new ATOM 0 HG11 VAL B 11 81.561 3.130 -11.369 1.00 0.00 H new ATOM 0 HG12 VAL B 11 80.905 4.020 -9.975 1.00 0.00 H new ATOM 0 HG13 VAL B 11 81.133 4.849 -11.533 1.00 0.00 H new ATOM 0 HG21 VAL B 11 83.856 3.603 -12.195 1.00 0.00 H new ATOM 0 HG22 VAL B 11 83.461 5.330 -12.364 1.00 0.00 H new ATOM 0 HG23 VAL B 11 84.865 4.829 -11.391 1.00 0.00 H new ATOM 1801 N MET B 12 82.231 5.220 -7.483 1.00 0.00 N ATOM 1802 CA MET B 12 81.265 5.177 -6.346 1.00 0.00 C ATOM 1803 C MET B 12 80.948 6.606 -5.904 1.00 0.00 C ATOM 1804 O MET B 12 79.817 6.953 -5.632 1.00 0.00 O ATOM 1805 CB MET B 12 81.901 4.429 -5.172 1.00 0.00 C ATOM 1806 CG MET B 12 82.000 2.934 -5.491 1.00 0.00 C ATOM 1807 SD MET B 12 83.241 2.173 -4.414 1.00 0.00 S ATOM 1808 CE MET B 12 82.674 2.887 -2.852 1.00 0.00 C ATOM 0 H MET B 12 83.126 4.762 -7.310 1.00 0.00 H new ATOM 0 HA MET B 12 80.352 4.671 -6.660 1.00 0.00 H new ATOM 0 HB2 MET B 12 82.893 4.832 -4.969 1.00 0.00 H new ATOM 0 HB3 MET B 12 81.306 4.578 -4.271 1.00 0.00 H new ATOM 0 HG2 MET B 12 81.032 2.454 -5.345 1.00 0.00 H new ATOM 0 HG3 MET B 12 82.272 2.791 -6.537 1.00 0.00 H new ATOM 0 HE1 MET B 12 83.056 2.294 -2.021 1.00 0.00 H new ATOM 0 HE2 MET B 12 83.039 3.910 -2.766 1.00 0.00 H new ATOM 0 HE3 MET B 12 81.584 2.887 -2.826 1.00 0.00 H new ATOM 1818 N VAL B 13 81.955 7.430 -5.813 1.00 0.00 N ATOM 1819 CA VAL B 13 81.745 8.838 -5.372 1.00 0.00 C ATOM 1820 C VAL B 13 81.234 9.704 -6.531 1.00 0.00 C ATOM 1821 O VAL B 13 80.362 10.532 -6.357 1.00 0.00 O ATOM 1822 CB VAL B 13 83.076 9.390 -4.860 1.00 0.00 C ATOM 1823 CG1 VAL B 13 82.887 10.818 -4.345 1.00 0.00 C ATOM 1824 CG2 VAL B 13 83.575 8.494 -3.727 1.00 0.00 C ATOM 0 H VAL B 13 82.922 7.186 -6.027 1.00 0.00 H new ATOM 0 HA VAL B 13 80.996 8.859 -4.581 1.00 0.00 H new ATOM 0 HB VAL B 13 83.804 9.405 -5.671 1.00 0.00 H new ATOM 0 HG11 VAL B 13 83.840 11.203 -3.982 1.00 0.00 H new ATOM 0 HG12 VAL B 13 82.524 11.452 -5.154 1.00 0.00 H new ATOM 0 HG13 VAL B 13 82.162 10.818 -3.531 1.00 0.00 H new ATOM 0 HG21 VAL B 13 84.524 8.876 -3.352 1.00 0.00 H new ATOM 0 HG22 VAL B 13 82.843 8.486 -2.920 1.00 0.00 H new ATOM 0 HG23 VAL B 13 83.714 7.479 -4.100 1.00 0.00 H new ATOM 1834 N SER B 14 81.779 9.537 -7.708 1.00 0.00 N ATOM 1835 CA SER B 14 81.331 10.374 -8.861 1.00 0.00 C ATOM 1836 C SER B 14 79.839 10.158 -9.124 1.00 0.00 C ATOM 1837 O SER B 14 79.092 11.096 -9.313 1.00 0.00 O ATOM 1838 CB SER B 14 82.123 9.984 -10.109 1.00 0.00 C ATOM 1839 OG SER B 14 83.498 10.280 -9.902 1.00 0.00 O ATOM 0 H SER B 14 82.512 8.860 -7.920 1.00 0.00 H new ATOM 0 HA SER B 14 81.503 11.424 -8.624 1.00 0.00 H new ATOM 0 HB2 SER B 14 81.995 8.922 -10.318 1.00 0.00 H new ATOM 0 HB3 SER B 14 81.748 10.527 -10.976 1.00 0.00 H new ATOM 0 HG SER B 14 83.893 9.604 -9.313 1.00 0.00 H new ATOM 1845 N THR B 15 79.399 8.932 -9.136 1.00 0.00 N ATOM 1846 CA THR B 15 77.955 8.665 -9.384 1.00 0.00 C ATOM 1847 C THR B 15 77.130 9.223 -8.221 1.00 0.00 C ATOM 1848 O THR B 15 76.072 9.783 -8.404 1.00 0.00 O ATOM 1849 CB THR B 15 77.743 7.150 -9.524 1.00 0.00 C ATOM 1850 OG1 THR B 15 76.535 6.904 -10.229 1.00 0.00 O ATOM 1851 CG2 THR B 15 77.684 6.474 -8.150 1.00 0.00 C ATOM 0 H THR B 15 79.975 8.104 -8.985 1.00 0.00 H new ATOM 0 HA THR B 15 77.632 9.153 -10.304 1.00 0.00 H new ATOM 0 HB THR B 15 78.586 6.733 -10.075 1.00 0.00 H new ATOM 0 HG1 THR B 15 76.400 5.938 -10.320 1.00 0.00 H new ATOM 0 HG21 THR B 15 77.533 5.402 -8.278 1.00 0.00 H new ATOM 0 HG22 THR B 15 78.620 6.648 -7.618 1.00 0.00 H new ATOM 0 HG23 THR B 15 76.857 6.890 -7.575 1.00 0.00 H new ATOM 1859 N PHE B 16 77.626 9.061 -7.031 1.00 0.00 N ATOM 1860 CA PHE B 16 76.903 9.552 -5.818 1.00 0.00 C ATOM 1861 C PHE B 16 76.697 11.065 -5.895 1.00 0.00 C ATOM 1862 O PHE B 16 75.656 11.579 -5.538 1.00 0.00 O ATOM 1863 CB PHE B 16 77.754 9.214 -4.587 1.00 0.00 C ATOM 1864 CG PHE B 16 77.086 9.696 -3.320 1.00 0.00 C ATOM 1865 CD1 PHE B 16 77.291 11.010 -2.883 1.00 0.00 C ATOM 1866 CD2 PHE B 16 76.277 8.830 -2.574 1.00 0.00 C ATOM 1867 CE1 PHE B 16 76.688 11.460 -1.702 1.00 0.00 C ATOM 1868 CE2 PHE B 16 75.675 9.280 -1.391 1.00 0.00 C ATOM 1869 CZ PHE B 16 75.881 10.595 -0.956 1.00 0.00 C ATOM 0 H PHE B 16 78.516 8.602 -6.839 1.00 0.00 H new ATOM 0 HA PHE B 16 75.925 9.075 -5.754 1.00 0.00 H new ATOM 0 HB2 PHE B 16 77.911 8.137 -4.533 1.00 0.00 H new ATOM 0 HB3 PHE B 16 78.737 9.675 -4.682 1.00 0.00 H new ATOM 0 HD1 PHE B 16 77.915 11.678 -3.458 1.00 0.00 H new ATOM 0 HD2 PHE B 16 76.117 7.816 -2.910 1.00 0.00 H new ATOM 0 HE1 PHE B 16 76.846 12.475 -1.367 1.00 0.00 H new ATOM 0 HE2 PHE B 16 75.052 8.612 -0.815 1.00 0.00 H new ATOM 0 HZ PHE B 16 75.417 10.941 -0.044 1.00 0.00 H new ATOM 1879 N HIS B 17 77.674 11.778 -6.362 1.00 0.00 N ATOM 1880 CA HIS B 17 77.539 13.256 -6.471 1.00 0.00 C ATOM 1881 C HIS B 17 76.391 13.599 -7.419 1.00 0.00 C ATOM 1882 O HIS B 17 75.650 14.537 -7.197 1.00 0.00 O ATOM 1883 CB HIS B 17 78.845 13.860 -6.994 1.00 0.00 C ATOM 1884 CG HIS B 17 79.871 13.858 -5.894 1.00 0.00 C ATOM 1885 ND1 HIS B 17 79.605 14.382 -4.637 1.00 0.00 N ATOM 1886 CD2 HIS B 17 81.164 13.401 -5.844 1.00 0.00 C ATOM 1887 CE1 HIS B 17 80.714 14.230 -3.890 1.00 0.00 C ATOM 1888 NE2 HIS B 17 81.690 13.638 -4.579 1.00 0.00 N ATOM 0 H HIS B 17 78.568 11.401 -6.676 1.00 0.00 H new ATOM 0 HA HIS B 17 77.326 13.671 -5.486 1.00 0.00 H new ATOM 0 HB2 HIS B 17 79.208 13.286 -7.847 1.00 0.00 H new ATOM 0 HB3 HIS B 17 78.673 14.878 -7.345 1.00 0.00 H new ATOM 0 HD1 HIS B 17 78.728 14.806 -4.334 1.00 0.00 H new ATOM 0 HD2 HIS B 17 81.691 12.930 -6.661 1.00 0.00 H new ATOM 0 HE1 HIS B 17 80.802 14.548 -2.862 1.00 0.00 H new ATOM 1897 N LYS B 18 76.243 12.858 -8.484 1.00 0.00 N ATOM 1898 CA LYS B 18 75.147 13.167 -9.449 1.00 0.00 C ATOM 1899 C LYS B 18 73.797 13.072 -8.737 1.00 0.00 C ATOM 1900 O LYS B 18 72.945 13.922 -8.896 1.00 0.00 O ATOM 1901 CB LYS B 18 75.198 12.162 -10.607 1.00 0.00 C ATOM 1902 CG LYS B 18 74.084 12.439 -11.631 1.00 0.00 C ATOM 1903 CD LYS B 18 74.252 13.834 -12.253 1.00 0.00 C ATOM 1904 CE LYS B 18 73.490 13.904 -13.582 1.00 0.00 C ATOM 1905 NZ LYS B 18 74.291 13.238 -14.648 1.00 0.00 N ATOM 0 H LYS B 18 76.828 12.058 -8.727 1.00 0.00 H new ATOM 0 HA LYS B 18 75.273 14.177 -9.839 1.00 0.00 H new ATOM 0 HB2 LYS B 18 76.169 12.218 -11.098 1.00 0.00 H new ATOM 0 HB3 LYS B 18 75.095 11.149 -10.218 1.00 0.00 H new ATOM 0 HG2 LYS B 18 74.107 11.681 -12.414 1.00 0.00 H new ATOM 0 HG3 LYS B 18 73.111 12.367 -11.145 1.00 0.00 H new ATOM 0 HD2 LYS B 18 73.878 14.595 -11.568 1.00 0.00 H new ATOM 0 HD3 LYS B 18 75.309 14.044 -12.417 1.00 0.00 H new ATOM 0 HE2 LYS B 18 72.520 13.417 -13.483 1.00 0.00 H new ATOM 0 HE3 LYS B 18 73.300 14.943 -13.850 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 73.902 13.485 -15.580 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 75.279 13.557 -14.590 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 74.251 12.207 -14.519 1.00 0.00 H new ATOM 1919 N TYR B 19 73.596 12.060 -7.940 1.00 0.00 N ATOM 1920 CA TYR B 19 72.296 11.948 -7.215 1.00 0.00 C ATOM 1921 C TYR B 19 72.213 13.037 -6.147 1.00 0.00 C ATOM 1922 O TYR B 19 71.177 13.631 -5.925 1.00 0.00 O ATOM 1923 CB TYR B 19 72.170 10.574 -6.552 1.00 0.00 C ATOM 1924 CG TYR B 19 71.985 9.510 -7.610 1.00 0.00 C ATOM 1925 CD1 TYR B 19 70.710 9.252 -8.129 1.00 0.00 C ATOM 1926 CD2 TYR B 19 73.086 8.788 -8.076 1.00 0.00 C ATOM 1927 CE1 TYR B 19 70.539 8.270 -9.112 1.00 0.00 C ATOM 1928 CE2 TYR B 19 72.918 7.807 -9.061 1.00 0.00 C ATOM 1929 CZ TYR B 19 71.644 7.547 -9.579 1.00 0.00 C ATOM 1930 OH TYR B 19 71.476 6.579 -10.548 1.00 0.00 O ATOM 0 H TYR B 19 74.266 11.312 -7.759 1.00 0.00 H new ATOM 0 HA TYR B 19 71.483 12.069 -7.931 1.00 0.00 H new ATOM 0 HB2 TYR B 19 73.061 10.362 -5.962 1.00 0.00 H new ATOM 0 HB3 TYR B 19 71.324 10.568 -5.865 1.00 0.00 H new ATOM 0 HD1 TYR B 19 69.858 9.811 -7.771 1.00 0.00 H new ATOM 0 HD2 TYR B 19 74.069 8.987 -7.676 1.00 0.00 H new ATOM 0 HE1 TYR B 19 69.555 8.070 -9.510 1.00 0.00 H new ATOM 0 HE2 TYR B 19 73.771 7.251 -9.421 1.00 0.00 H new ATOM 0 HH TYR B 19 72.343 6.174 -10.759 1.00 0.00 H new ATOM 1940 N SER B 20 73.297 13.298 -5.473 1.00 0.00 N ATOM 1941 CA SER B 20 73.276 14.338 -4.412 1.00 0.00 C ATOM 1942 C SER B 20 73.010 15.705 -5.052 1.00 0.00 C ATOM 1943 O SER B 20 72.766 16.683 -4.374 1.00 0.00 O ATOM 1944 CB SER B 20 74.628 14.340 -3.679 1.00 0.00 C ATOM 1945 OG SER B 20 75.174 13.029 -3.707 1.00 0.00 O ATOM 0 H SER B 20 74.196 12.836 -5.612 1.00 0.00 H new ATOM 0 HA SER B 20 72.485 14.126 -3.692 1.00 0.00 H new ATOM 0 HB2 SER B 20 75.312 15.043 -4.154 1.00 0.00 H new ATOM 0 HB3 SER B 20 74.497 14.671 -2.649 1.00 0.00 H new ATOM 0 HG SER B 20 75.685 12.905 -4.534 1.00 0.00 H new ATOM 1951 N GLY B 21 73.053 15.776 -6.354 1.00 0.00 N ATOM 1952 CA GLY B 21 72.801 17.080 -7.034 1.00 0.00 C ATOM 1953 C GLY B 21 71.295 17.336 -7.109 1.00 0.00 C ATOM 1954 O GLY B 21 70.854 18.427 -7.409 1.00 0.00 O ATOM 0 H GLY B 21 73.251 14.992 -6.975 1.00 0.00 H new ATOM 0 HA2 GLY B 21 73.291 17.887 -6.489 1.00 0.00 H new ATOM 0 HA3 GLY B 21 73.229 17.068 -8.037 1.00 0.00 H new ATOM 1958 N LYS B 22 70.503 16.335 -6.844 1.00 0.00 N ATOM 1959 CA LYS B 22 69.026 16.511 -6.903 1.00 0.00 C ATOM 1960 C LYS B 22 68.556 17.401 -5.746 1.00 0.00 C ATOM 1961 O LYS B 22 67.682 18.230 -5.907 1.00 0.00 O ATOM 1962 CB LYS B 22 68.353 15.143 -6.800 1.00 0.00 C ATOM 1963 CG LYS B 22 68.706 14.313 -8.037 1.00 0.00 C ATOM 1964 CD LYS B 22 67.940 12.985 -8.017 1.00 0.00 C ATOM 1965 CE LYS B 22 68.300 12.177 -6.763 1.00 0.00 C ATOM 1966 NZ LYS B 22 67.458 12.630 -5.620 1.00 0.00 N ATOM 0 H LYS B 22 70.817 15.399 -6.588 1.00 0.00 H new ATOM 0 HA LYS B 22 68.757 16.985 -7.847 1.00 0.00 H new ATOM 0 HB2 LYS B 22 68.683 14.630 -5.897 1.00 0.00 H new ATOM 0 HB3 LYS B 22 67.272 15.261 -6.723 1.00 0.00 H new ATOM 0 HG2 LYS B 22 68.460 14.870 -8.941 1.00 0.00 H new ATOM 0 HG3 LYS B 22 69.779 14.122 -8.063 1.00 0.00 H new ATOM 0 HD2 LYS B 22 66.867 13.177 -8.038 1.00 0.00 H new ATOM 0 HD3 LYS B 22 68.178 12.407 -8.910 1.00 0.00 H new ATOM 0 HE2 LYS B 22 68.143 11.114 -6.945 1.00 0.00 H new ATOM 0 HE3 LYS B 22 69.356 12.307 -6.525 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 68.065 13.049 -4.887 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 66.775 13.341 -5.952 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 66.946 11.817 -5.222 1.00 0.00 H new ATOM 1980 N GLU B 23 69.121 17.223 -4.576 1.00 0.00 N ATOM 1981 CA GLU B 23 68.708 18.042 -3.389 1.00 0.00 C ATOM 1982 C GLU B 23 69.761 19.116 -3.100 1.00 0.00 C ATOM 1983 O GLU B 23 70.800 19.168 -3.727 1.00 0.00 O ATOM 1984 CB GLU B 23 68.553 17.125 -2.172 1.00 0.00 C ATOM 1985 CG GLU B 23 69.880 16.422 -1.882 1.00 0.00 C ATOM 1986 CD GLU B 23 69.694 15.458 -0.710 1.00 0.00 C ATOM 1987 OE1 GLU B 23 68.699 15.587 -0.015 1.00 0.00 O ATOM 1988 OE2 GLU B 23 70.547 14.605 -0.526 1.00 0.00 O ATOM 0 H GLU B 23 69.856 16.541 -4.390 1.00 0.00 H new ATOM 0 HA GLU B 23 67.757 18.531 -3.601 1.00 0.00 H new ATOM 0 HB2 GLU B 23 68.241 17.706 -1.304 1.00 0.00 H new ATOM 0 HB3 GLU B 23 67.773 16.387 -2.358 1.00 0.00 H new ATOM 0 HG2 GLU B 23 70.218 15.879 -2.765 1.00 0.00 H new ATOM 0 HG3 GLU B 23 70.650 17.156 -1.645 1.00 0.00 H new ATOM 1995 N GLY B 24 69.484 19.989 -2.168 1.00 0.00 N ATOM 1996 CA GLY B 24 70.448 21.082 -1.842 1.00 0.00 C ATOM 1997 C GLY B 24 71.757 20.513 -1.284 1.00 0.00 C ATOM 1998 O GLY B 24 72.829 20.994 -1.598 1.00 0.00 O ATOM 0 H GLY B 24 68.627 19.992 -1.615 1.00 0.00 H new ATOM 0 HA2 GLY B 24 70.655 21.668 -2.737 1.00 0.00 H new ATOM 0 HA3 GLY B 24 70.002 21.759 -1.114 1.00 0.00 H new ATOM 2002 N ASP B 25 71.692 19.508 -0.453 1.00 0.00 N ATOM 2003 CA ASP B 25 72.950 18.943 0.118 1.00 0.00 C ATOM 2004 C ASP B 25 73.576 17.987 -0.898 1.00 0.00 C ATOM 2005 O ASP B 25 73.024 16.954 -1.217 1.00 0.00 O ATOM 2006 CB ASP B 25 72.628 18.187 1.410 1.00 0.00 C ATOM 2007 CG ASP B 25 72.227 19.188 2.496 1.00 0.00 C ATOM 2008 OD1 ASP B 25 72.486 20.365 2.314 1.00 0.00 O ATOM 2009 OD2 ASP B 25 71.668 18.758 3.492 1.00 0.00 O ATOM 0 H ASP B 25 70.830 19.056 -0.146 1.00 0.00 H new ATOM 0 HA ASP B 25 73.650 19.748 0.339 1.00 0.00 H new ATOM 0 HB2 ASP B 25 71.819 17.477 1.237 1.00 0.00 H new ATOM 0 HB3 ASP B 25 73.495 17.610 1.733 1.00 0.00 H new ATOM 2014 N LYS B 26 74.725 18.334 -1.420 1.00 0.00 N ATOM 2015 CA LYS B 26 75.388 17.460 -2.433 1.00 0.00 C ATOM 2016 C LYS B 26 76.310 16.453 -1.751 1.00 0.00 C ATOM 2017 O LYS B 26 76.789 15.523 -2.368 1.00 0.00 O ATOM 2018 CB LYS B 26 76.219 18.326 -3.381 1.00 0.00 C ATOM 2019 CG LYS B 26 75.300 19.266 -4.157 1.00 0.00 C ATOM 2020 CD LYS B 26 76.136 20.129 -5.103 1.00 0.00 C ATOM 2021 CE LYS B 26 75.217 21.071 -5.881 1.00 0.00 C ATOM 2022 NZ LYS B 26 76.002 21.773 -6.935 1.00 0.00 N ATOM 0 H LYS B 26 75.233 19.187 -1.187 1.00 0.00 H new ATOM 0 HA LYS B 26 74.618 16.922 -2.986 1.00 0.00 H new ATOM 0 HB2 LYS B 26 76.951 18.902 -2.815 1.00 0.00 H new ATOM 0 HB3 LYS B 26 76.776 17.694 -4.072 1.00 0.00 H new ATOM 0 HG2 LYS B 26 74.568 18.691 -4.724 1.00 0.00 H new ATOM 0 HG3 LYS B 26 74.743 19.899 -3.467 1.00 0.00 H new ATOM 0 HD2 LYS B 26 76.868 20.704 -4.536 1.00 0.00 H new ATOM 0 HD3 LYS B 26 76.693 19.496 -5.793 1.00 0.00 H new ATOM 0 HE2 LYS B 26 74.401 20.508 -6.335 1.00 0.00 H new ATOM 0 HE3 LYS B 26 74.766 21.797 -5.205 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 75.377 22.414 -7.464 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 76.766 22.322 -6.491 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 76.412 21.073 -7.586 1.00 0.00 H new ATOM 2036 N PHE B 27 76.580 16.636 -0.491 1.00 0.00 N ATOM 2037 CA PHE B 27 77.492 15.696 0.222 1.00 0.00 C ATOM 2038 C PHE B 27 76.670 14.623 0.936 1.00 0.00 C ATOM 2039 O PHE B 27 77.211 13.753 1.591 1.00 0.00 O ATOM 2040 CB PHE B 27 78.311 16.490 1.243 1.00 0.00 C ATOM 2041 CG PHE B 27 78.745 17.799 0.617 1.00 0.00 C ATOM 2042 CD1 PHE B 27 79.458 17.796 -0.590 1.00 0.00 C ATOM 2043 CD2 PHE B 27 78.427 19.016 1.235 1.00 0.00 C ATOM 2044 CE1 PHE B 27 79.852 19.005 -1.174 1.00 0.00 C ATOM 2045 CE2 PHE B 27 78.821 20.225 0.650 1.00 0.00 C ATOM 2046 CZ PHE B 27 79.534 20.220 -0.555 1.00 0.00 C ATOM 0 H PHE B 27 76.209 17.396 0.079 1.00 0.00 H new ATOM 0 HA PHE B 27 78.159 15.210 -0.490 1.00 0.00 H new ATOM 0 HB2 PHE B 27 77.717 16.679 2.137 1.00 0.00 H new ATOM 0 HB3 PHE B 27 79.183 15.915 1.555 1.00 0.00 H new ATOM 0 HD1 PHE B 27 79.703 16.860 -1.069 1.00 0.00 H new ATOM 0 HD2 PHE B 27 77.877 19.021 2.164 1.00 0.00 H new ATOM 0 HE1 PHE B 27 80.402 19.001 -2.103 1.00 0.00 H new ATOM 0 HE2 PHE B 27 78.575 21.162 1.128 1.00 0.00 H new ATOM 0 HZ PHE B 27 79.838 21.153 -1.007 1.00 0.00 H new ATOM 2056 N LYS B 28 75.363 14.678 0.827 1.00 0.00 N ATOM 2057 CA LYS B 28 74.507 13.657 1.517 1.00 0.00 C ATOM 2058 C LYS B 28 73.326 13.259 0.629 1.00 0.00 C ATOM 2059 O LYS B 28 72.871 14.023 -0.198 1.00 0.00 O ATOM 2060 CB LYS B 28 73.970 14.246 2.822 1.00 0.00 C ATOM 2061 CG LYS B 28 75.139 14.550 3.756 1.00 0.00 C ATOM 2062 CD LYS B 28 74.615 15.139 5.063 1.00 0.00 C ATOM 2063 CE LYS B 28 75.801 15.435 5.978 1.00 0.00 C ATOM 2064 NZ LYS B 28 75.321 16.095 7.225 1.00 0.00 N ATOM 0 H LYS B 28 74.853 15.382 0.293 1.00 0.00 H new ATOM 0 HA LYS B 28 75.112 12.774 1.722 1.00 0.00 H new ATOM 0 HB2 LYS B 28 73.406 15.156 2.619 1.00 0.00 H new ATOM 0 HB3 LYS B 28 73.284 13.544 3.296 1.00 0.00 H new ATOM 0 HG2 LYS B 28 75.703 13.639 3.957 1.00 0.00 H new ATOM 0 HG3 LYS B 28 75.825 15.251 3.280 1.00 0.00 H new ATOM 0 HD2 LYS B 28 74.052 16.052 4.867 1.00 0.00 H new ATOM 0 HD3 LYS B 28 73.931 14.440 5.545 1.00 0.00 H new ATOM 0 HE2 LYS B 28 76.324 14.510 6.223 1.00 0.00 H new ATOM 0 HE3 LYS B 28 76.516 16.079 5.466 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 76.133 16.477 7.751 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 74.672 16.870 6.980 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 74.822 15.400 7.816 1.00 0.00 H new ATOM 2078 N LEU B 29 72.815 12.063 0.822 1.00 0.00 N ATOM 2079 CA LEU B 29 71.642 11.585 0.027 1.00 0.00 C ATOM 2080 C LEU B 29 70.496 11.312 1.008 1.00 0.00 C ATOM 2081 O LEU B 29 70.714 11.098 2.184 1.00 0.00 O ATOM 2082 CB LEU B 29 72.026 10.282 -0.725 1.00 0.00 C ATOM 2083 CG LEU B 29 71.977 10.483 -2.244 1.00 0.00 C ATOM 2084 CD1 LEU B 29 73.135 11.377 -2.697 1.00 0.00 C ATOM 2085 CD2 LEU B 29 72.083 9.119 -2.930 1.00 0.00 C ATOM 0 H LEU B 29 73.167 11.393 1.505 1.00 0.00 H new ATOM 0 HA LEU B 29 71.338 12.331 -0.708 1.00 0.00 H new ATOM 0 HB2 LEU B 29 73.028 9.970 -0.429 1.00 0.00 H new ATOM 0 HB3 LEU B 29 71.345 9.480 -0.440 1.00 0.00 H new ATOM 0 HG LEU B 29 71.037 10.964 -2.515 1.00 0.00 H new ATOM 0 HD11 LEU B 29 73.089 11.512 -3.778 1.00 0.00 H new ATOM 0 HD12 LEU B 29 73.059 12.347 -2.206 1.00 0.00 H new ATOM 0 HD13 LEU B 29 74.082 10.909 -2.430 1.00 0.00 H new ATOM 0 HD21 LEU B 29 72.049 9.252 -4.011 1.00 0.00 H new ATOM 0 HD22 LEU B 29 73.024 8.644 -2.652 1.00 0.00 H new ATOM 0 HD23 LEU B 29 71.252 8.488 -2.616 1.00 0.00 H new ATOM 2097 N ASN B 30 69.281 11.318 0.535 1.00 0.00 N ATOM 2098 CA ASN B 30 68.120 11.055 1.432 1.00 0.00 C ATOM 2099 C ASN B 30 67.729 9.577 1.318 1.00 0.00 C ATOM 2100 O ASN B 30 67.721 9.000 0.251 1.00 0.00 O ATOM 2101 CB ASN B 30 66.935 11.921 0.998 1.00 0.00 C ATOM 2102 CG ASN B 30 67.270 13.402 1.200 1.00 0.00 C ATOM 2103 OD1 ASN B 30 68.362 13.735 1.832 1.00 0.00 O flip ATOM 2104 ND2 ASN B 30 66.529 14.266 0.775 1.00 0.00 N flip ATOM 0 H ASN B 30 69.040 11.495 -0.440 1.00 0.00 H new ATOM 0 HA ASN B 30 68.389 11.293 2.461 1.00 0.00 H new ATOM 0 HB2 ASN B 30 66.700 11.732 -0.049 1.00 0.00 H new ATOM 0 HB3 ASN B 30 66.050 11.657 1.576 1.00 0.00 H new ATOM 0 HD21 ASN B 30 65.675 14.008 0.281 1.00 0.00 H new ATOM 0 HD22 ASN B 30 66.761 15.250 0.912 1.00 0.00 H new ATOM 2111 N LYS B 31 67.413 8.974 2.423 1.00 0.00 N ATOM 2112 CA LYS B 31 67.017 7.538 2.457 1.00 0.00 C ATOM 2113 C LYS B 31 66.118 7.200 1.266 1.00 0.00 C ATOM 2114 O LYS B 31 66.108 6.094 0.778 1.00 0.00 O ATOM 2115 CB LYS B 31 66.250 7.290 3.757 1.00 0.00 C ATOM 2116 CG LYS B 31 65.101 8.294 3.863 1.00 0.00 C ATOM 2117 CD LYS B 31 64.341 8.075 5.171 1.00 0.00 C ATOM 2118 CE LYS B 31 63.190 9.078 5.255 1.00 0.00 C ATOM 2119 NZ LYS B 31 62.357 8.788 6.457 1.00 0.00 N ATOM 0 H LYS B 31 67.412 9.429 3.336 1.00 0.00 H new ATOM 0 HA LYS B 31 67.907 6.910 2.404 1.00 0.00 H new ATOM 0 HB2 LYS B 31 65.862 6.272 3.775 1.00 0.00 H new ATOM 0 HB3 LYS B 31 66.918 7.392 4.612 1.00 0.00 H new ATOM 0 HG2 LYS B 31 65.490 9.311 3.824 1.00 0.00 H new ATOM 0 HG3 LYS B 31 64.425 8.178 3.015 1.00 0.00 H new ATOM 0 HD2 LYS B 31 63.956 7.056 5.216 1.00 0.00 H new ATOM 0 HD3 LYS B 31 65.012 8.200 6.021 1.00 0.00 H new ATOM 0 HE2 LYS B 31 63.583 10.093 5.309 1.00 0.00 H new ATOM 0 HE3 LYS B 31 62.579 9.021 4.354 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 61.575 9.472 6.511 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 61.970 7.825 6.387 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 62.943 8.864 7.312 1.00 0.00 H new ATOM 2133 N SER B 32 65.365 8.128 0.780 1.00 0.00 N ATOM 2134 CA SER B 32 64.506 7.805 -0.386 1.00 0.00 C ATOM 2135 C SER B 32 65.416 7.591 -1.583 1.00 0.00 C ATOM 2136 O SER B 32 65.220 6.700 -2.385 1.00 0.00 O ATOM 2137 CB SER B 32 63.544 8.938 -0.692 1.00 0.00 C ATOM 2138 OG SER B 32 62.720 9.182 0.439 1.00 0.00 O ATOM 0 H SER B 32 65.302 9.085 1.129 1.00 0.00 H new ATOM 0 HA SER B 32 63.917 6.914 -0.165 1.00 0.00 H new ATOM 0 HB2 SER B 32 64.099 9.840 -0.952 1.00 0.00 H new ATOM 0 HB3 SER B 32 62.929 8.683 -1.555 1.00 0.00 H new ATOM 0 HG SER B 32 62.101 9.915 0.240 1.00 0.00 H new ATOM 2144 N GLU B 33 66.429 8.404 -1.692 1.00 0.00 N ATOM 2145 CA GLU B 33 67.380 8.251 -2.819 1.00 0.00 C ATOM 2146 C GLU B 33 68.034 6.902 -2.695 1.00 0.00 C ATOM 2147 O GLU B 33 68.442 6.319 -3.668 1.00 0.00 O ATOM 2148 CB GLU B 33 68.415 9.379 -2.794 1.00 0.00 C ATOM 2149 CG GLU B 33 67.721 10.691 -3.174 1.00 0.00 C ATOM 2150 CD GLU B 33 68.714 11.851 -3.096 1.00 0.00 C ATOM 2151 OE1 GLU B 33 68.859 12.409 -2.020 1.00 0.00 O ATOM 2152 OE2 GLU B 33 69.314 12.161 -4.111 1.00 0.00 O ATOM 0 H GLU B 33 66.637 9.167 -1.048 1.00 0.00 H new ATOM 0 HA GLU B 33 66.858 8.314 -3.774 1.00 0.00 H new ATOM 0 HB2 GLU B 33 68.861 9.461 -1.803 1.00 0.00 H new ATOM 0 HB3 GLU B 33 69.225 9.164 -3.491 1.00 0.00 H new ATOM 0 HG2 GLU B 33 67.314 10.618 -4.182 1.00 0.00 H new ATOM 0 HG3 GLU B 33 66.881 10.875 -2.504 1.00 0.00 H new ATOM 2159 N LEU B 34 68.094 6.360 -1.520 1.00 0.00 N ATOM 2160 CA LEU B 34 68.680 5.002 -1.415 1.00 0.00 C ATOM 2161 C LEU B 34 67.822 4.087 -2.281 1.00 0.00 C ATOM 2162 O LEU B 34 68.322 3.236 -2.988 1.00 0.00 O ATOM 2163 CB LEU B 34 68.688 4.535 0.054 1.00 0.00 C ATOM 2164 CG LEU B 34 69.166 3.070 0.201 1.00 0.00 C ATOM 2165 CD1 LEU B 34 68.074 2.062 -0.264 1.00 0.00 C ATOM 2166 CD2 LEU B 34 70.455 2.868 -0.601 1.00 0.00 C ATOM 0 H LEU B 34 67.773 6.782 -0.649 1.00 0.00 H new ATOM 0 HA LEU B 34 69.715 4.988 -1.756 1.00 0.00 H new ATOM 0 HB2 LEU B 34 69.338 5.187 0.637 1.00 0.00 H new ATOM 0 HB3 LEU B 34 67.685 4.631 0.469 1.00 0.00 H new ATOM 0 HG LEU B 34 69.360 2.878 1.256 1.00 0.00 H new ATOM 0 HD11 LEU B 34 68.445 1.044 -0.146 1.00 0.00 H new ATOM 0 HD12 LEU B 34 67.177 2.193 0.341 1.00 0.00 H new ATOM 0 HD13 LEU B 34 67.835 2.242 -1.312 1.00 0.00 H new ATOM 0 HD21 LEU B 34 70.791 1.836 -0.497 1.00 0.00 H new ATOM 0 HD22 LEU B 34 70.267 3.084 -1.653 1.00 0.00 H new ATOM 0 HD23 LEU B 34 71.226 3.540 -0.225 1.00 0.00 H new ATOM 2178 N LYS B 35 66.526 4.272 -2.250 1.00 0.00 N ATOM 2179 CA LYS B 35 65.650 3.423 -3.098 1.00 0.00 C ATOM 2180 C LYS B 35 65.790 3.838 -4.563 1.00 0.00 C ATOM 2181 O LYS B 35 66.023 3.019 -5.430 1.00 0.00 O ATOM 2182 CB LYS B 35 64.199 3.603 -2.652 1.00 0.00 C ATOM 2183 CG LYS B 35 63.290 2.651 -3.427 1.00 0.00 C ATOM 2184 CD LYS B 35 61.846 2.869 -2.977 1.00 0.00 C ATOM 2185 CE LYS B 35 60.929 1.884 -3.699 1.00 0.00 C ATOM 2186 NZ LYS B 35 60.946 2.164 -5.163 1.00 0.00 N ATOM 0 H LYS B 35 66.045 4.967 -1.679 1.00 0.00 H new ATOM 0 HA LYS B 35 65.942 2.378 -2.994 1.00 0.00 H new ATOM 0 HB2 LYS B 35 64.113 3.411 -1.583 1.00 0.00 H new ATOM 0 HB3 LYS B 35 63.885 4.634 -2.817 1.00 0.00 H new ATOM 0 HG2 LYS B 35 63.382 2.830 -4.498 1.00 0.00 H new ATOM 0 HG3 LYS B 35 63.588 1.618 -3.250 1.00 0.00 H new ATOM 0 HD2 LYS B 35 61.766 2.732 -1.899 1.00 0.00 H new ATOM 0 HD3 LYS B 35 61.538 3.892 -3.192 1.00 0.00 H new ATOM 0 HE2 LYS B 35 61.257 0.862 -3.510 1.00 0.00 H new ATOM 0 HE3 LYS B 35 59.913 1.969 -3.314 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 60.119 1.720 -5.611 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 60.915 3.192 -5.320 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 61.816 1.776 -5.580 1.00 0.00 H new ATOM 2200 N GLU B 36 65.640 5.104 -4.851 1.00 0.00 N ATOM 2201 CA GLU B 36 65.756 5.557 -6.266 1.00 0.00 C ATOM 2202 C GLU B 36 67.188 5.380 -6.757 1.00 0.00 C ATOM 2203 O GLU B 36 67.417 4.983 -7.882 1.00 0.00 O ATOM 2204 CB GLU B 36 65.353 7.028 -6.390 1.00 0.00 C ATOM 2205 CG GLU B 36 65.484 7.462 -7.852 1.00 0.00 C ATOM 2206 CD GLU B 36 64.883 8.857 -8.029 1.00 0.00 C ATOM 2207 OE1 GLU B 36 64.322 9.365 -7.071 1.00 0.00 O ATOM 2208 OE2 GLU B 36 64.990 9.394 -9.120 1.00 0.00 O ATOM 0 H GLU B 36 65.443 5.839 -4.172 1.00 0.00 H new ATOM 0 HA GLU B 36 65.087 4.952 -6.877 1.00 0.00 H new ATOM 0 HB2 GLU B 36 64.328 7.167 -6.047 1.00 0.00 H new ATOM 0 HB3 GLU B 36 65.988 7.647 -5.756 1.00 0.00 H new ATOM 0 HG2 GLU B 36 66.533 7.467 -8.148 1.00 0.00 H new ATOM 0 HG3 GLU B 36 64.973 6.750 -8.500 1.00 0.00 H new ATOM 2215 N LEU B 37 68.161 5.666 -5.937 1.00 0.00 N ATOM 2216 CA LEU B 37 69.557 5.499 -6.400 1.00 0.00 C ATOM 2217 C LEU B 37 69.775 4.051 -6.777 1.00 0.00 C ATOM 2218 O LEU B 37 70.436 3.746 -7.749 1.00 0.00 O ATOM 2219 CB LEU B 37 70.539 5.893 -5.286 1.00 0.00 C ATOM 2220 CG LEU B 37 72.007 5.704 -5.767 1.00 0.00 C ATOM 2221 CD1 LEU B 37 72.904 6.784 -5.152 1.00 0.00 C ATOM 2222 CD2 LEU B 37 72.548 4.317 -5.348 1.00 0.00 C ATOM 0 H LEU B 37 68.048 6.003 -4.981 1.00 0.00 H new ATOM 0 HA LEU B 37 69.732 6.142 -7.262 1.00 0.00 H new ATOM 0 HB2 LEU B 37 70.375 6.931 -4.998 1.00 0.00 H new ATOM 0 HB3 LEU B 37 70.358 5.284 -4.400 1.00 0.00 H new ATOM 0 HG LEU B 37 72.016 5.782 -6.854 1.00 0.00 H new ATOM 0 HD11 LEU B 37 73.929 6.644 -5.494 1.00 0.00 H new ATOM 0 HD12 LEU B 37 72.551 7.768 -5.459 1.00 0.00 H new ATOM 0 HD13 LEU B 37 72.871 6.709 -4.065 1.00 0.00 H new ATOM 0 HD21 LEU B 37 73.575 4.207 -5.695 1.00 0.00 H new ATOM 0 HD22 LEU B 37 72.520 4.229 -4.262 1.00 0.00 H new ATOM 0 HD23 LEU B 37 71.930 3.536 -5.791 1.00 0.00 H new ATOM 2234 N LEU B 38 69.238 3.144 -6.016 1.00 0.00 N ATOM 2235 CA LEU B 38 69.456 1.704 -6.372 1.00 0.00 C ATOM 2236 C LEU B 38 68.631 1.318 -7.589 1.00 0.00 C ATOM 2237 O LEU B 38 69.092 0.606 -8.457 1.00 0.00 O ATOM 2238 CB LEU B 38 69.093 0.788 -5.205 1.00 0.00 C ATOM 2239 CG LEU B 38 70.131 0.912 -4.081 1.00 0.00 C ATOM 2240 CD1 LEU B 38 69.704 0.024 -2.897 1.00 0.00 C ATOM 2241 CD2 LEU B 38 71.525 0.471 -4.590 1.00 0.00 C ATOM 0 H LEU B 38 68.673 3.320 -5.186 1.00 0.00 H new ATOM 0 HA LEU B 38 70.514 1.582 -6.602 1.00 0.00 H new ATOM 0 HB2 LEU B 38 68.105 1.047 -4.825 1.00 0.00 H new ATOM 0 HB3 LEU B 38 69.042 -0.245 -5.548 1.00 0.00 H new ATOM 0 HG LEU B 38 70.189 1.952 -3.758 1.00 0.00 H new ATOM 0 HD11 LEU B 38 70.438 0.108 -2.096 1.00 0.00 H new ATOM 0 HD12 LEU B 38 68.729 0.348 -2.532 1.00 0.00 H new ATOM 0 HD13 LEU B 38 69.642 -1.014 -3.224 1.00 0.00 H new ATOM 0 HD21 LEU B 38 72.253 0.563 -3.784 1.00 0.00 H new ATOM 0 HD22 LEU B 38 71.480 -0.567 -4.921 1.00 0.00 H new ATOM 0 HD23 LEU B 38 71.825 1.105 -5.424 1.00 0.00 H new ATOM 2253 N THR B 39 67.424 1.773 -7.671 1.00 0.00 N ATOM 2254 CA THR B 39 66.600 1.410 -8.844 1.00 0.00 C ATOM 2255 C THR B 39 67.213 2.044 -10.090 1.00 0.00 C ATOM 2256 O THR B 39 67.009 1.587 -11.197 1.00 0.00 O ATOM 2257 CB THR B 39 65.170 1.911 -8.656 1.00 0.00 C ATOM 2258 OG1 THR B 39 64.695 1.523 -7.375 1.00 0.00 O ATOM 2259 CG2 THR B 39 64.292 1.291 -9.736 1.00 0.00 C ATOM 0 H THR B 39 66.973 2.376 -6.983 1.00 0.00 H new ATOM 0 HA THR B 39 66.576 0.326 -8.954 1.00 0.00 H new ATOM 0 HB THR B 39 65.142 2.998 -8.731 1.00 0.00 H new ATOM 0 HG1 THR B 39 65.060 2.126 -6.694 1.00 0.00 H new ATOM 0 HG21 THR B 39 63.266 1.639 -9.615 1.00 0.00 H new ATOM 0 HG22 THR B 39 64.662 1.585 -10.718 1.00 0.00 H new ATOM 0 HG23 THR B 39 64.319 0.205 -9.648 1.00 0.00 H new ATOM 2267 N ARG B 40 67.962 3.102 -9.917 1.00 0.00 N ATOM 2268 CA ARG B 40 68.592 3.781 -11.090 1.00 0.00 C ATOM 2269 C ARG B 40 70.005 3.244 -11.302 1.00 0.00 C ATOM 2270 O ARG B 40 70.563 3.375 -12.374 1.00 0.00 O ATOM 2271 CB ARG B 40 68.651 5.292 -10.836 1.00 0.00 C ATOM 2272 CG ARG B 40 67.230 5.876 -10.746 1.00 0.00 C ATOM 2273 CD ARG B 40 66.587 5.993 -12.139 1.00 0.00 C ATOM 2274 NE ARG B 40 67.541 6.636 -13.106 1.00 0.00 N ATOM 2275 CZ ARG B 40 68.048 7.820 -12.886 1.00 0.00 C ATOM 2276 NH1 ARG B 40 67.620 8.551 -11.895 1.00 0.00 N ATOM 2277 NH2 ARG B 40 68.953 8.297 -13.697 1.00 0.00 N ATOM 0 H ARG B 40 68.165 3.526 -9.012 1.00 0.00 H new ATOM 0 HA ARG B 40 67.996 3.584 -11.981 1.00 0.00 H new ATOM 0 HB2 ARG B 40 69.192 5.491 -9.911 1.00 0.00 H new ATOM 0 HB3 ARG B 40 69.202 5.781 -11.639 1.00 0.00 H new ATOM 0 HG2 ARG B 40 66.613 5.241 -10.110 1.00 0.00 H new ATOM 0 HG3 ARG B 40 67.267 6.859 -10.276 1.00 0.00 H new ATOM 0 HD2 ARG B 40 66.305 5.004 -12.500 1.00 0.00 H new ATOM 0 HD3 ARG B 40 65.672 6.582 -12.076 1.00 0.00 H new ATOM 0 HE ARG B 40 67.799 6.135 -13.956 1.00 0.00 H new ATOM 0 HH11 ARG B 40 66.883 8.200 -11.283 1.00 0.00 H new ATOM 0 HH12 ARG B 40 68.022 9.474 -11.731 1.00 0.00 H new ATOM 0 HH21 ARG B 40 69.261 7.746 -14.498 1.00 0.00 H new ATOM 0 HH22 ARG B 40 69.352 9.221 -13.530 1.00 0.00 H new ATOM 2291 N GLU B 41 70.592 2.636 -10.298 1.00 0.00 N ATOM 2292 CA GLU B 41 71.979 2.088 -10.460 1.00 0.00 C ATOM 2293 C GLU B 41 71.912 0.582 -10.529 1.00 0.00 C ATOM 2294 O GLU B 41 72.728 -0.048 -11.170 1.00 0.00 O ATOM 2295 CB GLU B 41 72.846 2.488 -9.266 1.00 0.00 C ATOM 2296 CG GLU B 41 73.098 3.996 -9.286 1.00 0.00 C ATOM 2297 CD GLU B 41 73.967 4.371 -8.085 1.00 0.00 C ATOM 2298 OE1 GLU B 41 74.431 3.466 -7.412 1.00 0.00 O ATOM 2299 OE2 GLU B 41 74.157 5.554 -7.859 1.00 0.00 O ATOM 0 H GLU B 41 70.174 2.496 -9.378 1.00 0.00 H new ATOM 0 HA GLU B 41 72.415 2.490 -11.374 1.00 0.00 H new ATOM 0 HB2 GLU B 41 72.352 2.206 -8.336 1.00 0.00 H new ATOM 0 HB3 GLU B 41 73.794 1.952 -9.299 1.00 0.00 H new ATOM 0 HG2 GLU B 41 73.594 4.283 -10.214 1.00 0.00 H new ATOM 0 HG3 GLU B 41 72.152 4.536 -9.250 1.00 0.00 H new ATOM 2306 N LEU B 42 70.947 -0.006 -9.884 1.00 0.00 N ATOM 2307 CA LEU B 42 70.826 -1.490 -9.921 1.00 0.00 C ATOM 2308 C LEU B 42 69.339 -1.876 -10.012 1.00 0.00 C ATOM 2309 O LEU B 42 68.691 -2.045 -9.001 1.00 0.00 O ATOM 2310 CB LEU B 42 71.419 -2.102 -8.641 1.00 0.00 C ATOM 2311 CG LEU B 42 72.928 -1.807 -8.533 1.00 0.00 C ATOM 2312 CD1 LEU B 42 73.422 -2.216 -7.140 1.00 0.00 C ATOM 2313 CD2 LEU B 42 73.708 -2.603 -9.596 1.00 0.00 C ATOM 0 H LEU B 42 70.236 0.475 -9.333 1.00 0.00 H new ATOM 0 HA LEU B 42 71.368 -1.868 -10.788 1.00 0.00 H new ATOM 0 HB2 LEU B 42 70.903 -1.700 -7.769 1.00 0.00 H new ATOM 0 HB3 LEU B 42 71.255 -3.180 -8.639 1.00 0.00 H new ATOM 0 HG LEU B 42 73.092 -0.742 -8.695 1.00 0.00 H new ATOM 0 HD11 LEU B 42 74.489 -2.010 -7.057 1.00 0.00 H new ATOM 0 HD12 LEU B 42 72.883 -1.648 -6.382 1.00 0.00 H new ATOM 0 HD13 LEU B 42 73.246 -3.281 -6.990 1.00 0.00 H new ATOM 0 HD21 LEU B 42 74.772 -2.384 -9.507 1.00 0.00 H new ATOM 0 HD22 LEU B 42 73.543 -3.670 -9.445 1.00 0.00 H new ATOM 0 HD23 LEU B 42 73.361 -2.319 -10.590 1.00 0.00 H new ATOM 2325 N PRO B 43 68.778 -2.010 -11.195 1.00 0.00 N ATOM 2326 CA PRO B 43 67.342 -2.379 -11.304 1.00 0.00 C ATOM 2327 C PRO B 43 67.096 -3.852 -10.917 1.00 0.00 C ATOM 2328 O PRO B 43 66.838 -4.160 -9.771 1.00 0.00 O ATOM 2329 CB PRO B 43 67.036 -2.099 -12.791 1.00 0.00 C ATOM 2330 CG PRO B 43 68.371 -1.839 -13.523 1.00 0.00 C ATOM 2331 CD PRO B 43 69.506 -1.806 -12.479 1.00 0.00 C ATOM 0 HA PRO B 43 66.696 -1.821 -10.626 1.00 0.00 H new ATOM 0 HB2 PRO B 43 66.518 -2.947 -13.238 1.00 0.00 H new ATOM 0 HB3 PRO B 43 66.377 -1.236 -12.887 1.00 0.00 H new ATOM 0 HG2 PRO B 43 68.557 -2.621 -14.260 1.00 0.00 H new ATOM 0 HG3 PRO B 43 68.328 -0.894 -14.065 1.00 0.00 H new ATOM 0 HD2 PRO B 43 70.242 -2.591 -12.656 1.00 0.00 H new ATOM 0 HD3 PRO B 43 70.042 -0.857 -12.494 1.00 0.00 H new ATOM 2339 N SER B 44 67.169 -4.757 -11.855 1.00 0.00 N ATOM 2340 CA SER B 44 66.933 -6.194 -11.524 1.00 0.00 C ATOM 2341 C SER B 44 68.092 -6.744 -10.680 1.00 0.00 C ATOM 2342 O SER B 44 67.883 -7.451 -9.718 1.00 0.00 O ATOM 2343 CB SER B 44 66.819 -7.001 -12.818 1.00 0.00 C ATOM 2344 OG SER B 44 66.585 -8.367 -12.501 1.00 0.00 O ATOM 0 H SER B 44 67.381 -4.566 -12.834 1.00 0.00 H new ATOM 0 HA SER B 44 66.009 -6.278 -10.953 1.00 0.00 H new ATOM 0 HB2 SER B 44 66.005 -6.614 -13.431 1.00 0.00 H new ATOM 0 HB3 SER B 44 67.734 -6.903 -13.403 1.00 0.00 H new ATOM 0 HG SER B 44 66.510 -8.887 -13.328 1.00 0.00 H new ATOM 2350 N PHE B 45 69.305 -6.417 -11.039 1.00 0.00 N ATOM 2351 CA PHE B 45 70.499 -6.914 -10.278 1.00 0.00 C ATOM 2352 C PHE B 45 70.332 -6.643 -8.783 1.00 0.00 C ATOM 2353 O PHE B 45 71.100 -7.104 -7.963 1.00 0.00 O ATOM 2354 CB PHE B 45 71.724 -6.147 -10.756 1.00 0.00 C ATOM 2355 CG PHE B 45 72.067 -6.538 -12.174 1.00 0.00 C ATOM 2356 CD1 PHE B 45 71.498 -5.843 -13.248 1.00 0.00 C ATOM 2357 CD2 PHE B 45 72.954 -7.595 -12.416 1.00 0.00 C ATOM 2358 CE1 PHE B 45 71.816 -6.202 -14.563 1.00 0.00 C ATOM 2359 CE2 PHE B 45 73.274 -7.953 -13.732 1.00 0.00 C ATOM 2360 CZ PHE B 45 72.705 -7.257 -14.805 1.00 0.00 C ATOM 0 H PHE B 45 69.526 -5.820 -11.836 1.00 0.00 H new ATOM 0 HA PHE B 45 70.605 -7.986 -10.444 1.00 0.00 H new ATOM 0 HB2 PHE B 45 71.534 -5.075 -10.703 1.00 0.00 H new ATOM 0 HB3 PHE B 45 72.570 -6.353 -10.100 1.00 0.00 H new ATOM 0 HD1 PHE B 45 70.813 -5.029 -13.062 1.00 0.00 H new ATOM 0 HD2 PHE B 45 73.391 -8.134 -11.588 1.00 0.00 H new ATOM 0 HE1 PHE B 45 71.376 -5.666 -15.391 1.00 0.00 H new ATOM 0 HE2 PHE B 45 73.960 -8.766 -13.919 1.00 0.00 H new ATOM 0 HZ PHE B 45 72.951 -7.533 -15.819 1.00 0.00 H new ATOM 2370 N LEU B 46 69.335 -5.892 -8.430 1.00 0.00 N ATOM 2371 CA LEU B 46 69.089 -5.560 -6.991 1.00 0.00 C ATOM 2372 C LEU B 46 68.000 -6.489 -6.496 1.00 0.00 C ATOM 2373 O LEU B 46 68.261 -7.502 -5.879 1.00 0.00 O ATOM 2374 CB LEU B 46 68.633 -4.098 -6.880 1.00 0.00 C ATOM 2375 CG LEU B 46 68.422 -3.688 -5.404 1.00 0.00 C ATOM 2376 CD1 LEU B 46 69.763 -3.269 -4.772 1.00 0.00 C ATOM 2377 CD2 LEU B 46 67.424 -2.512 -5.336 1.00 0.00 C ATOM 0 H LEU B 46 68.665 -5.484 -9.082 1.00 0.00 H new ATOM 0 HA LEU B 46 69.993 -5.684 -6.395 1.00 0.00 H new ATOM 0 HB2 LEU B 46 69.377 -3.447 -7.338 1.00 0.00 H new ATOM 0 HB3 LEU B 46 67.705 -3.961 -7.434 1.00 0.00 H new ATOM 0 HG LEU B 46 68.023 -4.538 -4.851 1.00 0.00 H new ATOM 0 HD11 LEU B 46 69.602 -2.982 -3.733 1.00 0.00 H new ATOM 0 HD12 LEU B 46 70.462 -4.105 -4.814 1.00 0.00 H new ATOM 0 HD13 LEU B 46 70.176 -2.423 -5.322 1.00 0.00 H new ATOM 0 HD21 LEU B 46 67.274 -2.222 -4.296 1.00 0.00 H new ATOM 0 HD22 LEU B 46 67.821 -1.665 -5.896 1.00 0.00 H new ATOM 0 HD23 LEU B 46 66.471 -2.818 -5.768 1.00 0.00 H new ATOM 2389 N GLY B 47 66.780 -6.181 -6.811 1.00 0.00 N ATOM 2390 CA GLY B 47 65.677 -7.080 -6.410 1.00 0.00 C ATOM 2391 C GLY B 47 65.766 -8.317 -7.299 1.00 0.00 C ATOM 2392 O GLY B 47 64.786 -8.988 -7.552 1.00 0.00 O ATOM 0 H GLY B 47 66.500 -5.347 -7.328 1.00 0.00 H new ATOM 0 HA2 GLY B 47 65.765 -7.353 -5.358 1.00 0.00 H new ATOM 0 HA3 GLY B 47 64.713 -6.586 -6.531 1.00 0.00 H new ATOM 2396 N LYS B 48 66.950 -8.606 -7.799 1.00 0.00 N ATOM 2397 CA LYS B 48 67.127 -9.776 -8.698 1.00 0.00 C ATOM 2398 C LYS B 48 66.369 -10.978 -8.128 1.00 0.00 C ATOM 2399 O LYS B 48 65.828 -11.787 -8.856 1.00 0.00 O ATOM 2400 CB LYS B 48 68.621 -10.126 -8.799 1.00 0.00 C ATOM 2401 CG LYS B 48 68.835 -11.337 -9.723 1.00 0.00 C ATOM 2402 CD LYS B 48 68.313 -11.028 -11.136 1.00 0.00 C ATOM 2403 CE LYS B 48 68.976 -11.962 -12.152 1.00 0.00 C ATOM 2404 NZ LYS B 48 68.676 -13.379 -11.799 1.00 0.00 N ATOM 0 H LYS B 48 67.800 -8.073 -7.616 1.00 0.00 H new ATOM 0 HA LYS B 48 66.739 -9.532 -9.687 1.00 0.00 H new ATOM 0 HB2 LYS B 48 69.175 -9.269 -9.181 1.00 0.00 H new ATOM 0 HB3 LYS B 48 69.016 -10.345 -7.807 1.00 0.00 H new ATOM 0 HG2 LYS B 48 69.895 -11.588 -9.766 1.00 0.00 H new ATOM 0 HG3 LYS B 48 68.318 -12.207 -9.319 1.00 0.00 H new ATOM 0 HD2 LYS B 48 67.230 -11.151 -11.168 1.00 0.00 H new ATOM 0 HD3 LYS B 48 68.524 -9.990 -11.392 1.00 0.00 H new ATOM 0 HE2 LYS B 48 68.612 -11.742 -13.155 1.00 0.00 H new ATOM 0 HE3 LYS B 48 70.054 -11.799 -12.161 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 68.916 -13.995 -12.602 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 69.238 -13.656 -10.969 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 67.664 -13.475 -11.580 1.00 0.00 H new ATOM 2418 N ARG B 49 66.323 -11.100 -6.827 1.00 0.00 N ATOM 2419 CA ARG B 49 65.599 -12.248 -6.214 1.00 0.00 C ATOM 2420 C ARG B 49 64.113 -12.135 -6.563 1.00 0.00 C ATOM 2421 O ARG B 49 63.558 -11.055 -6.618 1.00 0.00 O ATOM 2422 CB ARG B 49 65.765 -12.222 -4.691 1.00 0.00 C ATOM 2423 CG ARG B 49 67.249 -12.082 -4.314 1.00 0.00 C ATOM 2424 CD ARG B 49 68.024 -13.356 -4.672 1.00 0.00 C ATOM 2425 NE ARG B 49 67.287 -14.578 -4.203 1.00 0.00 N ATOM 2426 CZ ARG B 49 66.937 -14.740 -2.953 1.00 0.00 C ATOM 2427 NH1 ARG B 49 67.354 -13.918 -2.030 1.00 0.00 N ATOM 2428 NH2 ARG B 49 66.208 -15.770 -2.619 1.00 0.00 N ATOM 0 H ARG B 49 66.755 -10.455 -6.165 1.00 0.00 H new ATOM 0 HA ARG B 49 66.007 -13.183 -6.598 1.00 0.00 H new ATOM 0 HB2 ARG B 49 65.197 -11.392 -4.271 1.00 0.00 H new ATOM 0 HB3 ARG B 49 65.359 -13.137 -4.259 1.00 0.00 H new ATOM 0 HG2 ARG B 49 67.682 -11.229 -4.835 1.00 0.00 H new ATOM 0 HG3 ARG B 49 67.340 -11.883 -3.246 1.00 0.00 H new ATOM 0 HD2 ARG B 49 68.171 -13.406 -5.751 1.00 0.00 H new ATOM 0 HD3 ARG B 49 69.014 -13.325 -4.216 1.00 0.00 H new ATOM 0 HE ARG B 49 67.052 -15.304 -4.880 1.00 0.00 H new ATOM 0 HH11 ARG B 49 67.961 -13.137 -2.279 1.00 0.00 H new ATOM 0 HH12 ARG B 49 67.073 -14.056 -1.059 1.00 0.00 H new ATOM 0 HH21 ARG B 49 65.916 -16.440 -3.330 1.00 0.00 H new ATOM 0 HH22 ARG B 49 65.930 -15.905 -1.647 1.00 0.00 H new ATOM 2442 N THR B 50 63.472 -13.240 -6.818 1.00 0.00 N ATOM 2443 CA THR B 50 62.028 -13.204 -7.187 1.00 0.00 C ATOM 2444 C THR B 50 61.166 -12.834 -5.973 1.00 0.00 C ATOM 2445 O THR B 50 60.019 -12.460 -6.119 1.00 0.00 O ATOM 2446 CB THR B 50 61.613 -14.583 -7.709 1.00 0.00 C ATOM 2447 OG1 THR B 50 60.264 -14.533 -8.150 1.00 0.00 O ATOM 2448 CG2 THR B 50 61.752 -15.625 -6.592 1.00 0.00 C ATOM 0 H THR B 50 63.887 -14.171 -6.787 1.00 0.00 H new ATOM 0 HA THR B 50 61.878 -12.449 -7.959 1.00 0.00 H new ATOM 0 HB THR B 50 62.259 -14.864 -8.541 1.00 0.00 H new ATOM 0 HG1 THR B 50 59.818 -13.756 -7.752 1.00 0.00 H new ATOM 0 HG21 THR B 50 61.456 -16.604 -6.969 1.00 0.00 H new ATOM 0 HG22 THR B 50 62.789 -15.664 -6.257 1.00 0.00 H new ATOM 0 HG23 THR B 50 61.111 -15.349 -5.755 1.00 0.00 H new ATOM 2456 N ASP B 51 61.693 -12.936 -4.777 1.00 0.00 N ATOM 2457 CA ASP B 51 60.878 -12.587 -3.568 1.00 0.00 C ATOM 2458 C ASP B 51 61.181 -11.151 -3.133 1.00 0.00 C ATOM 2459 O ASP B 51 60.454 -10.563 -2.356 1.00 0.00 O ATOM 2460 CB ASP B 51 61.233 -13.540 -2.424 1.00 0.00 C ATOM 2461 CG ASP B 51 62.718 -13.402 -2.091 1.00 0.00 C ATOM 2462 OD1 ASP B 51 63.453 -12.921 -2.937 1.00 0.00 O ATOM 2463 OD2 ASP B 51 63.097 -13.782 -0.995 1.00 0.00 O ATOM 0 H ASP B 51 62.646 -13.244 -4.585 1.00 0.00 H new ATOM 0 HA ASP B 51 59.820 -12.677 -3.813 1.00 0.00 H new ATOM 0 HB2 ASP B 51 60.629 -13.312 -1.546 1.00 0.00 H new ATOM 0 HB3 ASP B 51 61.007 -14.568 -2.708 1.00 0.00 H new ATOM 2468 N GLU B 52 62.238 -10.574 -3.636 1.00 0.00 N ATOM 2469 CA GLU B 52 62.574 -9.170 -3.259 1.00 0.00 C ATOM 2470 C GLU B 52 62.466 -8.992 -1.742 1.00 0.00 C ATOM 2471 O GLU B 52 62.318 -7.893 -1.246 1.00 0.00 O ATOM 2472 CB GLU B 52 61.581 -8.232 -3.937 1.00 0.00 C ATOM 2473 CG GLU B 52 61.718 -8.351 -5.456 1.00 0.00 C ATOM 2474 CD GLU B 52 60.721 -7.408 -6.132 1.00 0.00 C ATOM 2475 OE1 GLU B 52 59.875 -6.873 -5.434 1.00 0.00 O ATOM 2476 OE2 GLU B 52 60.820 -7.237 -7.336 1.00 0.00 O ATOM 0 H GLU B 52 62.884 -11.013 -4.292 1.00 0.00 H new ATOM 0 HA GLU B 52 63.593 -8.944 -3.575 1.00 0.00 H new ATOM 0 HB2 GLU B 52 60.564 -8.481 -3.633 1.00 0.00 H new ATOM 0 HB3 GLU B 52 61.765 -7.204 -3.625 1.00 0.00 H new ATOM 0 HG2 GLU B 52 62.735 -8.103 -5.761 1.00 0.00 H new ATOM 0 HG3 GLU B 52 61.533 -9.379 -5.769 1.00 0.00 H new ATOM 2483 N ALA B 53 62.529 -10.061 -1.004 1.00 0.00 N ATOM 2484 CA ALA B 53 62.417 -9.951 0.481 1.00 0.00 C ATOM 2485 C ALA B 53 63.541 -9.071 1.033 1.00 0.00 C ATOM 2486 O ALA B 53 63.305 -8.188 1.831 1.00 0.00 O ATOM 2487 CB ALA B 53 62.506 -11.345 1.106 1.00 0.00 C ATOM 0 H ALA B 53 62.653 -11.008 -1.361 1.00 0.00 H new ATOM 0 HA ALA B 53 61.457 -9.498 0.730 1.00 0.00 H new ATOM 0 HB1 ALA B 53 62.424 -11.264 2.190 1.00 0.00 H new ATOM 0 HB2 ALA B 53 61.695 -11.966 0.726 1.00 0.00 H new ATOM 0 HB3 ALA B 53 63.462 -11.799 0.847 1.00 0.00 H new ATOM 2493 N ALA B 54 64.761 -9.287 0.626 1.00 0.00 N ATOM 2494 CA ALA B 54 65.857 -8.428 1.154 1.00 0.00 C ATOM 2495 C ALA B 54 65.681 -7.016 0.603 1.00 0.00 C ATOM 2496 O ALA B 54 65.870 -6.035 1.286 1.00 0.00 O ATOM 2497 CB ALA B 54 67.217 -8.962 0.738 1.00 0.00 C ATOM 0 H ALA B 54 65.044 -10.008 -0.038 1.00 0.00 H new ATOM 0 HA ALA B 54 65.809 -8.425 2.243 1.00 0.00 H new ATOM 0 HB1 ALA B 54 67.999 -8.316 1.137 1.00 0.00 H new ATOM 0 HB2 ALA B 54 67.346 -9.972 1.128 1.00 0.00 H new ATOM 0 HB3 ALA B 54 67.283 -8.982 -0.350 1.00 0.00 H new ATOM 2503 N PHE B 55 65.294 -6.894 -0.628 1.00 0.00 N ATOM 2504 CA PHE B 55 65.084 -5.537 -1.189 1.00 0.00 C ATOM 2505 C PHE B 55 64.126 -4.812 -0.255 1.00 0.00 C ATOM 2506 O PHE B 55 64.290 -3.652 0.066 1.00 0.00 O ATOM 2507 CB PHE B 55 64.465 -5.665 -2.574 1.00 0.00 C ATOM 2508 CG PHE B 55 64.028 -4.306 -3.081 1.00 0.00 C ATOM 2509 CD1 PHE B 55 64.964 -3.270 -3.209 1.00 0.00 C ATOM 2510 CD2 PHE B 55 62.688 -4.083 -3.427 1.00 0.00 C ATOM 2511 CE1 PHE B 55 64.558 -2.015 -3.681 1.00 0.00 C ATOM 2512 CE2 PHE B 55 62.286 -2.829 -3.899 1.00 0.00 C ATOM 2513 CZ PHE B 55 63.220 -1.795 -4.025 1.00 0.00 C ATOM 0 H PHE B 55 65.115 -7.668 -1.268 1.00 0.00 H new ATOM 0 HA PHE B 55 66.022 -4.989 -1.275 1.00 0.00 H new ATOM 0 HB2 PHE B 55 65.187 -6.103 -3.263 1.00 0.00 H new ATOM 0 HB3 PHE B 55 63.609 -6.339 -2.537 1.00 0.00 H new ATOM 0 HD1 PHE B 55 65.997 -3.439 -2.944 1.00 0.00 H new ATOM 0 HD2 PHE B 55 61.966 -4.880 -3.329 1.00 0.00 H new ATOM 0 HE1 PHE B 55 65.279 -1.217 -3.779 1.00 0.00 H new ATOM 0 HE2 PHE B 55 61.254 -2.659 -4.166 1.00 0.00 H new ATOM 0 HZ PHE B 55 62.908 -0.827 -4.388 1.00 0.00 H new ATOM 2523 N GLN B 56 63.146 -5.525 0.215 1.00 0.00 N ATOM 2524 CA GLN B 56 62.180 -4.936 1.173 1.00 0.00 C ATOM 2525 C GLN B 56 62.920 -4.651 2.474 1.00 0.00 C ATOM 2526 O GLN B 56 62.590 -3.745 3.214 1.00 0.00 O ATOM 2527 CB GLN B 56 61.027 -5.922 1.408 1.00 0.00 C ATOM 2528 CG GLN B 56 60.022 -5.327 2.396 1.00 0.00 C ATOM 2529 CD GLN B 56 58.850 -6.296 2.566 1.00 0.00 C ATOM 2530 OE1 GLN B 56 58.728 -7.255 1.830 1.00 0.00 O ATOM 2531 NE2 GLN B 56 57.982 -6.094 3.520 1.00 0.00 N ATOM 0 H GLN B 56 62.972 -6.501 -0.027 1.00 0.00 H new ATOM 0 HA GLN B 56 61.760 -4.010 0.781 1.00 0.00 H new ATOM 0 HB2 GLN B 56 60.531 -6.146 0.463 1.00 0.00 H new ATOM 0 HB3 GLN B 56 61.416 -6.864 1.795 1.00 0.00 H new ATOM 0 HG2 GLN B 56 60.503 -5.146 3.358 1.00 0.00 H new ATOM 0 HG3 GLN B 56 59.663 -4.364 2.033 1.00 0.00 H new ATOM 0 HE21 GLN B 56 58.083 -5.290 4.139 1.00 0.00 H new ATOM 0 HE22 GLN B 56 57.203 -6.741 3.646 1.00 0.00 H new ATOM 2540 N LYS B 57 63.937 -5.416 2.737 1.00 0.00 N ATOM 2541 CA LYS B 57 64.744 -5.207 3.973 1.00 0.00 C ATOM 2542 C LYS B 57 65.546 -3.925 3.828 1.00 0.00 C ATOM 2543 O LYS B 57 65.672 -3.147 4.753 1.00 0.00 O ATOM 2544 CB LYS B 57 65.681 -6.401 4.216 1.00 0.00 C ATOM 2545 CG LYS B 57 66.498 -6.168 5.484 1.00 0.00 C ATOM 2546 CD LYS B 57 67.112 -7.488 5.960 1.00 0.00 C ATOM 2547 CE LYS B 57 68.138 -7.980 4.937 1.00 0.00 C ATOM 2548 NZ LYS B 57 68.955 -9.070 5.540 1.00 0.00 N ATOM 0 H LYS B 57 64.249 -6.186 2.145 1.00 0.00 H new ATOM 0 HA LYS B 57 64.077 -5.125 4.831 1.00 0.00 H new ATOM 0 HB2 LYS B 57 65.099 -7.318 4.311 1.00 0.00 H new ATOM 0 HB3 LYS B 57 66.346 -6.532 3.363 1.00 0.00 H new ATOM 0 HG2 LYS B 57 67.286 -5.440 5.291 1.00 0.00 H new ATOM 0 HG3 LYS B 57 65.862 -5.750 6.265 1.00 0.00 H new ATOM 0 HD2 LYS B 57 67.590 -7.349 6.930 1.00 0.00 H new ATOM 0 HD3 LYS B 57 66.331 -8.236 6.094 1.00 0.00 H new ATOM 0 HE2 LYS B 57 67.631 -8.343 4.043 1.00 0.00 H new ATOM 0 HE3 LYS B 57 68.782 -7.157 4.627 1.00 0.00 H new ATOM 0 HZ1 LYS B 57 69.653 -9.405 4.846 1.00 0.00 H new ATOM 0 HZ2 LYS B 57 69.449 -8.709 6.381 1.00 0.00 H new ATOM 0 HZ3 LYS B 57 68.334 -9.858 5.815 1.00 0.00 H new ATOM 2562 N LEU B 58 66.073 -3.687 2.663 1.00 0.00 N ATOM 2563 CA LEU B 58 66.844 -2.438 2.455 1.00 0.00 C ATOM 2564 C LEU B 58 65.843 -1.307 2.519 1.00 0.00 C ATOM 2565 O LEU B 58 66.079 -0.267 3.102 1.00 0.00 O ATOM 2566 CB LEU B 58 67.536 -2.456 1.082 1.00 0.00 C ATOM 2567 CG LEU B 58 68.852 -3.242 1.158 1.00 0.00 C ATOM 2568 CD1 LEU B 58 68.559 -4.733 1.335 1.00 0.00 C ATOM 2569 CD2 LEU B 58 69.643 -3.035 -0.138 1.00 0.00 C ATOM 0 H LEU B 58 66.003 -4.300 1.851 1.00 0.00 H new ATOM 0 HA LEU B 58 67.622 -2.325 3.210 1.00 0.00 H new ATOM 0 HB2 LEU B 58 66.877 -2.908 0.341 1.00 0.00 H new ATOM 0 HB3 LEU B 58 67.733 -1.436 0.753 1.00 0.00 H new ATOM 0 HG LEU B 58 69.433 -2.885 2.008 1.00 0.00 H new ATOM 0 HD11 LEU B 58 69.498 -5.284 1.388 1.00 0.00 H new ATOM 0 HD12 LEU B 58 67.995 -4.886 2.255 1.00 0.00 H new ATOM 0 HD13 LEU B 58 67.975 -5.092 0.488 1.00 0.00 H new ATOM 0 HD21 LEU B 58 70.578 -3.592 -0.086 1.00 0.00 H new ATOM 0 HD22 LEU B 58 69.055 -3.391 -0.984 1.00 0.00 H new ATOM 0 HD23 LEU B 58 69.859 -1.974 -0.267 1.00 0.00 H new ATOM 2581 N MET B 59 64.702 -1.532 1.944 1.00 0.00 N ATOM 2582 CA MET B 59 63.641 -0.503 1.985 1.00 0.00 C ATOM 2583 C MET B 59 63.144 -0.390 3.416 1.00 0.00 C ATOM 2584 O MET B 59 62.845 0.683 3.899 1.00 0.00 O ATOM 2585 CB MET B 59 62.480 -0.889 1.077 1.00 0.00 C ATOM 2586 CG MET B 59 62.917 -0.801 -0.385 1.00 0.00 C ATOM 2587 SD MET B 59 61.562 -1.350 -1.452 1.00 0.00 S ATOM 2588 CE MET B 59 60.376 -0.054 -1.022 1.00 0.00 C ATOM 0 H MET B 59 64.459 -2.388 1.446 1.00 0.00 H new ATOM 0 HA MET B 59 64.045 0.448 1.639 1.00 0.00 H new ATOM 0 HB2 MET B 59 62.147 -1.901 1.307 1.00 0.00 H new ATOM 0 HB3 MET B 59 61.632 -0.227 1.254 1.00 0.00 H new ATOM 0 HG2 MET B 59 63.196 0.223 -0.631 1.00 0.00 H new ATOM 0 HG3 MET B 59 63.799 -1.420 -0.550 1.00 0.00 H new ATOM 0 HE1 MET B 59 59.692 0.104 -1.855 1.00 0.00 H new ATOM 0 HE2 MET B 59 59.811 -0.356 -0.140 1.00 0.00 H new ATOM 0 HE3 MET B 59 60.910 0.872 -0.811 1.00 0.00 H new ATOM 2598 N SER B 60 63.056 -1.494 4.107 1.00 0.00 N ATOM 2599 CA SER B 60 62.577 -1.422 5.517 1.00 0.00 C ATOM 2600 C SER B 60 63.561 -0.586 6.328 1.00 0.00 C ATOM 2601 O SER B 60 63.213 0.004 7.330 1.00 0.00 O ATOM 2602 CB SER B 60 62.479 -2.823 6.117 1.00 0.00 C ATOM 2603 OG SER B 60 61.577 -3.604 5.343 1.00 0.00 O ATOM 0 H SER B 60 63.290 -2.426 3.765 1.00 0.00 H new ATOM 0 HA SER B 60 61.588 -0.965 5.540 1.00 0.00 H new ATOM 0 HB2 SER B 60 63.462 -3.293 6.135 1.00 0.00 H new ATOM 0 HB3 SER B 60 62.135 -2.766 7.150 1.00 0.00 H new ATOM 0 HG SER B 60 62.074 -4.089 4.652 1.00 0.00 H new ATOM 2609 N ASN B 61 64.788 -0.514 5.901 1.00 0.00 N ATOM 2610 CA ASN B 61 65.773 0.315 6.659 1.00 0.00 C ATOM 2611 C ASN B 61 65.450 1.783 6.415 1.00 0.00 C ATOM 2612 O ASN B 61 65.550 2.608 7.292 1.00 0.00 O ATOM 2613 CB ASN B 61 67.198 -0.002 6.208 1.00 0.00 C ATOM 2614 CG ASN B 61 67.602 -1.386 6.720 1.00 0.00 C ATOM 2615 OD1 ASN B 61 68.096 -2.206 5.971 1.00 0.00 O ATOM 2616 ND2 ASN B 61 67.413 -1.683 7.978 1.00 0.00 N ATOM 0 H ASN B 61 65.152 -0.984 5.072 1.00 0.00 H new ATOM 0 HA ASN B 61 65.705 0.092 7.724 1.00 0.00 H new ATOM 0 HB2 ASN B 61 67.261 0.027 5.120 1.00 0.00 H new ATOM 0 HB3 ASN B 61 67.887 0.753 6.588 1.00 0.00 H new ATOM 0 HD21 ASN B 61 67.680 -2.602 8.331 1.00 0.00 H new ATOM 0 HD22 ASN B 61 66.999 -0.996 8.608 1.00 0.00 H new ATOM 2623 N LEU B 62 65.027 2.119 5.233 1.00 0.00 N ATOM 2624 CA LEU B 62 64.655 3.533 4.974 1.00 0.00 C ATOM 2625 C LEU B 62 63.527 3.836 5.947 1.00 0.00 C ATOM 2626 O LEU B 62 63.318 4.954 6.374 1.00 0.00 O ATOM 2627 CB LEU B 62 64.179 3.697 3.528 1.00 0.00 C ATOM 2628 CG LEU B 62 65.121 2.942 2.582 1.00 0.00 C ATOM 2629 CD1 LEU B 62 64.620 3.078 1.135 1.00 0.00 C ATOM 2630 CD2 LEU B 62 66.548 3.488 2.689 1.00 0.00 C ATOM 0 H LEU B 62 64.923 1.483 4.442 1.00 0.00 H new ATOM 0 HA LEU B 62 65.497 4.211 5.110 1.00 0.00 H new ATOM 0 HB2 LEU B 62 63.163 3.316 3.425 1.00 0.00 H new ATOM 0 HB3 LEU B 62 64.152 4.754 3.262 1.00 0.00 H new ATOM 0 HG LEU B 62 65.130 1.890 2.868 1.00 0.00 H new ATOM 0 HD11 LEU B 62 65.291 2.541 0.465 1.00 0.00 H new ATOM 0 HD12 LEU B 62 63.617 2.659 1.056 1.00 0.00 H new ATOM 0 HD13 LEU B 62 64.596 4.131 0.856 1.00 0.00 H new ATOM 0 HD21 LEU B 62 67.200 2.938 2.010 1.00 0.00 H new ATOM 0 HD22 LEU B 62 66.554 4.545 2.422 1.00 0.00 H new ATOM 0 HD23 LEU B 62 66.907 3.370 3.711 1.00 0.00 H new ATOM 2642 N ASP B 63 62.829 2.799 6.328 1.00 0.00 N ATOM 2643 CA ASP B 63 61.733 2.936 7.314 1.00 0.00 C ATOM 2644 C ASP B 63 62.363 2.830 8.707 1.00 0.00 C ATOM 2645 O ASP B 63 61.683 2.834 9.714 1.00 0.00 O ATOM 2646 CB ASP B 63 60.705 1.814 7.113 1.00 0.00 C ATOM 2647 CG ASP B 63 59.398 2.181 7.819 1.00 0.00 C ATOM 2648 OD1 ASP B 63 59.452 2.962 8.754 1.00 0.00 O ATOM 2649 OD2 ASP B 63 58.366 1.671 7.413 1.00 0.00 O ATOM 0 H ASP B 63 62.980 1.849 5.988 1.00 0.00 H new ATOM 0 HA ASP B 63 61.219 3.889 7.194 1.00 0.00 H new ATOM 0 HB2 ASP B 63 60.524 1.659 6.049 1.00 0.00 H new ATOM 0 HB3 ASP B 63 61.093 0.876 7.510 1.00 0.00 H new ATOM 2654 N SER B 64 63.673 2.726 8.761 1.00 0.00 N ATOM 2655 CA SER B 64 64.365 2.608 10.077 1.00 0.00 C ATOM 2656 C SER B 64 64.022 3.838 10.923 1.00 0.00 C ATOM 2657 O SER B 64 63.949 4.941 10.419 1.00 0.00 O ATOM 2658 CB SER B 64 65.883 2.561 9.888 1.00 0.00 C ATOM 2659 OG SER B 64 66.508 2.491 11.162 1.00 0.00 O ATOM 0 H SER B 64 64.288 2.718 7.947 1.00 0.00 H new ATOM 0 HA SER B 64 64.037 1.690 10.566 1.00 0.00 H new ATOM 0 HB2 SER B 64 66.160 1.696 9.285 1.00 0.00 H new ATOM 0 HB3 SER B 64 66.223 3.446 9.351 1.00 0.00 H new ATOM 0 HG SER B 64 67.481 2.459 11.048 1.00 0.00 H new ATOM 2665 N ASN B 65 63.796 3.665 12.194 1.00 0.00 N ATOM 2666 CA ASN B 65 63.440 4.838 13.048 1.00 0.00 C ATOM 2667 C ASN B 65 64.689 5.657 13.411 1.00 0.00 C ATOM 2668 O ASN B 65 64.586 6.807 13.791 1.00 0.00 O ATOM 2669 CB ASN B 65 62.759 4.341 14.327 1.00 0.00 C ATOM 2670 CG ASN B 65 63.690 3.384 15.077 1.00 0.00 C ATOM 2671 OD1 ASN B 65 64.840 3.229 14.718 1.00 0.00 O ATOM 2672 ND2 ASN B 65 63.235 2.731 16.113 1.00 0.00 N ATOM 0 H ASN B 65 63.841 2.769 12.679 1.00 0.00 H new ATOM 0 HA ASN B 65 62.762 5.483 12.489 1.00 0.00 H new ATOM 0 HB2 ASN B 65 62.503 5.187 14.965 1.00 0.00 H new ATOM 0 HB3 ASN B 65 61.826 3.835 14.079 1.00 0.00 H new ATOM 0 HD21 ASN B 65 63.846 2.091 16.621 1.00 0.00 H new ATOM 0 HD22 ASN B 65 62.269 2.861 16.414 1.00 0.00 H new ATOM 2679 N ARG B 66 65.864 5.087 13.318 1.00 0.00 N ATOM 2680 CA ARG B 66 67.101 5.855 13.686 1.00 0.00 C ATOM 2681 C ARG B 66 67.706 6.561 12.462 1.00 0.00 C ATOM 2682 O ARG B 66 68.031 7.731 12.513 1.00 0.00 O ATOM 2683 CB ARG B 66 68.132 4.889 14.278 1.00 0.00 C ATOM 2684 CG ARG B 66 69.317 5.678 14.841 1.00 0.00 C ATOM 2685 CD ARG B 66 70.338 4.702 15.430 1.00 0.00 C ATOM 2686 NE ARG B 66 71.388 5.455 16.194 1.00 0.00 N ATOM 2687 CZ ARG B 66 72.140 6.357 15.621 1.00 0.00 C ATOM 2688 NH1 ARG B 66 72.104 6.524 14.327 1.00 0.00 N ATOM 2689 NH2 ARG B 66 72.969 7.062 16.341 1.00 0.00 N ATOM 0 H ARG B 66 66.024 4.129 13.006 1.00 0.00 H new ATOM 0 HA ARG B 66 66.830 6.617 14.417 1.00 0.00 H new ATOM 0 HB2 ARG B 66 67.674 4.291 15.066 1.00 0.00 H new ATOM 0 HB3 ARG B 66 68.476 4.195 13.511 1.00 0.00 H new ATOM 0 HG2 ARG B 66 69.779 6.275 14.054 1.00 0.00 H new ATOM 0 HG3 ARG B 66 68.975 6.372 15.609 1.00 0.00 H new ATOM 0 HD2 ARG B 66 69.837 3.992 16.088 1.00 0.00 H new ATOM 0 HD3 ARG B 66 70.803 4.123 14.632 1.00 0.00 H new ATOM 0 HE ARG B 66 71.518 5.257 17.186 1.00 0.00 H new ATOM 0 HH11 ARG B 66 71.486 5.948 13.755 1.00 0.00 H new ATOM 0 HH12 ARG B 66 72.694 7.230 13.887 1.00 0.00 H new ATOM 0 HH21 ARG B 66 73.028 6.908 17.348 1.00 0.00 H new ATOM 0 HH22 ARG B 66 73.558 7.767 15.897 1.00 0.00 H new ATOM 2703 N ASP B 67 67.889 5.859 11.377 1.00 0.00 N ATOM 2704 CA ASP B 67 68.508 6.489 10.166 1.00 0.00 C ATOM 2705 C ASP B 67 67.530 7.467 9.504 1.00 0.00 C ATOM 2706 O ASP B 67 66.328 7.316 9.596 1.00 0.00 O ATOM 2707 CB ASP B 67 68.883 5.393 9.168 1.00 0.00 C ATOM 2708 CG ASP B 67 69.876 4.430 9.821 1.00 0.00 C ATOM 2709 OD1 ASP B 67 70.818 4.905 10.433 1.00 0.00 O ATOM 2710 OD2 ASP B 67 69.676 3.232 9.698 1.00 0.00 O ATOM 0 H ASP B 67 67.638 4.876 11.273 1.00 0.00 H new ATOM 0 HA ASP B 67 69.397 7.040 10.471 1.00 0.00 H new ATOM 0 HB2 ASP B 67 67.991 4.853 8.851 1.00 0.00 H new ATOM 0 HB3 ASP B 67 69.322 5.835 8.274 1.00 0.00 H new ATOM 2715 N ASN B 68 68.042 8.475 8.829 1.00 0.00 N ATOM 2716 CA ASN B 68 67.152 9.472 8.149 1.00 0.00 C ATOM 2717 C ASN B 68 67.728 9.859 6.776 1.00 0.00 C ATOM 2718 O ASN B 68 67.000 10.002 5.814 1.00 0.00 O ATOM 2719 CB ASN B 68 67.037 10.723 9.022 1.00 0.00 C ATOM 2720 CG ASN B 68 68.436 11.218 9.393 1.00 0.00 C ATOM 2721 OD1 ASN B 68 69.385 10.459 9.382 1.00 0.00 O ATOM 2722 ND2 ASN B 68 68.607 12.468 9.722 1.00 0.00 N ATOM 0 H ASN B 68 69.041 8.648 8.721 1.00 0.00 H new ATOM 0 HA ASN B 68 66.168 9.026 8.004 1.00 0.00 H new ATOM 0 HB2 ASN B 68 66.494 11.503 8.488 1.00 0.00 H new ATOM 0 HB3 ASN B 68 66.468 10.498 9.924 1.00 0.00 H new ATOM 0 HD21 ASN B 68 69.536 12.808 9.970 1.00 0.00 H new ATOM 0 HD22 ASN B 68 67.811 13.106 9.732 1.00 0.00 H new ATOM 2729 N GLU B 69 69.027 10.030 6.678 1.00 0.00 N ATOM 2730 CA GLU B 69 69.667 10.411 5.365 1.00 0.00 C ATOM 2731 C GLU B 69 70.699 9.345 5.015 1.00 0.00 C ATOM 2732 O GLU B 69 70.877 8.382 5.734 1.00 0.00 O ATOM 2733 CB GLU B 69 70.368 11.792 5.473 1.00 0.00 C ATOM 2734 CG GLU B 69 70.002 12.441 6.795 1.00 0.00 C ATOM 2735 CD GLU B 69 70.520 13.881 6.829 1.00 0.00 C ATOM 2736 OE1 GLU B 69 71.274 14.240 5.940 1.00 0.00 O ATOM 2737 OE2 GLU B 69 70.151 14.600 7.743 1.00 0.00 O ATOM 0 H GLU B 69 69.680 9.922 7.454 1.00 0.00 H new ATOM 0 HA GLU B 69 68.901 10.479 4.593 1.00 0.00 H new ATOM 0 HB2 GLU B 69 71.449 11.670 5.402 1.00 0.00 H new ATOM 0 HB3 GLU B 69 70.064 12.432 4.645 1.00 0.00 H new ATOM 0 HG2 GLU B 69 68.920 12.431 6.928 1.00 0.00 H new ATOM 0 HG3 GLU B 69 70.430 11.872 7.620 1.00 0.00 H new ATOM 2744 N VAL B 70 71.381 9.516 3.916 1.00 0.00 N ATOM 2745 CA VAL B 70 72.409 8.523 3.506 1.00 0.00 C ATOM 2746 C VAL B 70 73.766 9.200 3.463 1.00 0.00 C ATOM 2747 O VAL B 70 74.171 9.760 2.464 1.00 0.00 O ATOM 2748 CB VAL B 70 72.052 8.011 2.108 1.00 0.00 C ATOM 2749 CG1 VAL B 70 72.687 6.655 1.859 1.00 0.00 C ATOM 2750 CG2 VAL B 70 70.544 7.877 1.998 1.00 0.00 C ATOM 0 H VAL B 70 71.268 10.307 3.282 1.00 0.00 H new ATOM 0 HA VAL B 70 72.441 7.694 4.213 1.00 0.00 H new ATOM 0 HB VAL B 70 72.426 8.719 1.368 1.00 0.00 H new ATOM 0 HG11 VAL B 70 72.422 6.307 0.861 1.00 0.00 H new ATOM 0 HG12 VAL B 70 73.771 6.741 1.938 1.00 0.00 H new ATOM 0 HG13 VAL B 70 72.325 5.942 2.600 1.00 0.00 H new ATOM 0 HG21 VAL B 70 70.283 7.513 1.004 1.00 0.00 H new ATOM 0 HG22 VAL B 70 70.186 7.173 2.749 1.00 0.00 H new ATOM 0 HG23 VAL B 70 70.079 8.849 2.162 1.00 0.00 H new ATOM 2760 N ASP B 71 74.500 9.096 4.519 1.00 0.00 N ATOM 2761 CA ASP B 71 75.858 9.673 4.499 1.00 0.00 C ATOM 2762 C ASP B 71 76.654 8.787 3.553 1.00 0.00 C ATOM 2763 O ASP B 71 76.251 7.673 3.279 1.00 0.00 O ATOM 2764 CB ASP B 71 76.473 9.649 5.901 1.00 0.00 C ATOM 2765 CG ASP B 71 75.791 10.705 6.774 1.00 0.00 C ATOM 2766 OD1 ASP B 71 75.188 11.607 6.215 1.00 0.00 O ATOM 2767 OD2 ASP B 71 75.883 10.594 7.985 1.00 0.00 O ATOM 0 H ASP B 71 74.224 8.641 5.389 1.00 0.00 H new ATOM 0 HA ASP B 71 75.853 10.714 4.176 1.00 0.00 H new ATOM 0 HB2 ASP B 71 76.353 8.661 6.346 1.00 0.00 H new ATOM 0 HB3 ASP B 71 77.544 9.845 5.844 1.00 0.00 H new ATOM 2772 N PHE B 72 77.749 9.238 3.022 1.00 0.00 N ATOM 2773 CA PHE B 72 78.489 8.366 2.083 1.00 0.00 C ATOM 2774 C PHE B 72 78.721 7.012 2.755 1.00 0.00 C ATOM 2775 O PHE B 72 78.582 5.972 2.144 1.00 0.00 O ATOM 2776 CB PHE B 72 79.820 9.024 1.737 1.00 0.00 C ATOM 2777 CG PHE B 72 80.509 8.209 0.680 1.00 0.00 C ATOM 2778 CD1 PHE B 72 80.109 8.326 -0.652 1.00 0.00 C ATOM 2779 CD2 PHE B 72 81.537 7.331 1.032 1.00 0.00 C ATOM 2780 CE1 PHE B 72 80.739 7.566 -1.638 1.00 0.00 C ATOM 2781 CE2 PHE B 72 82.169 6.569 0.047 1.00 0.00 C ATOM 2782 CZ PHE B 72 81.771 6.686 -1.291 1.00 0.00 C ATOM 0 H PHE B 72 78.158 10.157 3.194 1.00 0.00 H new ATOM 0 HA PHE B 72 77.920 8.219 1.165 1.00 0.00 H new ATOM 0 HB2 PHE B 72 79.656 10.041 1.381 1.00 0.00 H new ATOM 0 HB3 PHE B 72 80.447 9.095 2.626 1.00 0.00 H new ATOM 0 HD1 PHE B 72 79.312 9.004 -0.919 1.00 0.00 H new ATOM 0 HD2 PHE B 72 81.842 7.242 2.064 1.00 0.00 H new ATOM 0 HE1 PHE B 72 80.430 7.657 -2.669 1.00 0.00 H new ATOM 0 HE2 PHE B 72 82.964 5.890 0.317 1.00 0.00 H new ATOM 0 HZ PHE B 72 82.260 6.098 -2.054 1.00 0.00 H new ATOM 2792 N GLN B 73 79.040 7.018 4.018 1.00 0.00 N ATOM 2793 CA GLN B 73 79.244 5.735 4.737 1.00 0.00 C ATOM 2794 C GLN B 73 77.940 4.919 4.716 1.00 0.00 C ATOM 2795 O GLN B 73 77.968 3.718 4.552 1.00 0.00 O ATOM 2796 CB GLN B 73 79.646 6.029 6.187 1.00 0.00 C ATOM 2797 CG GLN B 73 79.870 4.724 6.954 1.00 0.00 C ATOM 2798 CD GLN B 73 80.275 5.055 8.392 1.00 0.00 C ATOM 2799 OE1 GLN B 73 80.521 6.199 8.717 1.00 0.00 O ATOM 2800 NE2 GLN B 73 80.375 4.094 9.270 1.00 0.00 N ATOM 0 H GLN B 73 79.168 7.858 4.583 1.00 0.00 H new ATOM 0 HA GLN B 73 80.032 5.162 4.249 1.00 0.00 H new ATOM 0 HB2 GLN B 73 80.556 6.629 6.204 1.00 0.00 H new ATOM 0 HB3 GLN B 73 78.868 6.616 6.675 1.00 0.00 H new ATOM 0 HG2 GLN B 73 78.961 4.123 6.948 1.00 0.00 H new ATOM 0 HG3 GLN B 73 80.647 4.132 6.471 1.00 0.00 H new ATOM 0 HE21 GLN B 73 80.169 3.132 8.999 1.00 0.00 H new ATOM 0 HE22 GLN B 73 80.659 4.305 10.227 1.00 0.00 H new ATOM 2809 N GLU B 74 76.793 5.548 4.883 1.00 0.00 N ATOM 2810 CA GLU B 74 75.522 4.781 4.877 1.00 0.00 C ATOM 2811 C GLU B 74 75.295 4.183 3.497 1.00 0.00 C ATOM 2812 O GLU B 74 74.853 3.059 3.363 1.00 0.00 O ATOM 2813 CB GLU B 74 74.382 5.730 5.241 1.00 0.00 C ATOM 2814 CG GLU B 74 73.042 4.984 5.256 1.00 0.00 C ATOM 2815 CD GLU B 74 73.065 3.914 6.347 1.00 0.00 C ATOM 2816 OE1 GLU B 74 73.892 4.021 7.238 1.00 0.00 O ATOM 2817 OE2 GLU B 74 72.253 3.006 6.277 1.00 0.00 O ATOM 0 H GLU B 74 76.694 6.554 5.022 1.00 0.00 H new ATOM 0 HA GLU B 74 75.565 3.968 5.602 1.00 0.00 H new ATOM 0 HB2 GLU B 74 74.569 6.173 6.219 1.00 0.00 H new ATOM 0 HB3 GLU B 74 74.340 6.549 4.523 1.00 0.00 H new ATOM 0 HG2 GLU B 74 72.226 5.684 5.436 1.00 0.00 H new ATOM 0 HG3 GLU B 74 72.859 4.524 4.285 1.00 0.00 H new ATOM 2824 N TYR B 75 75.593 4.916 2.464 1.00 0.00 N ATOM 2825 CA TYR B 75 75.389 4.361 1.106 1.00 0.00 C ATOM 2826 C TYR B 75 76.255 3.104 0.987 1.00 0.00 C ATOM 2827 O TYR B 75 75.851 2.098 0.439 1.00 0.00 O ATOM 2828 CB TYR B 75 75.812 5.397 0.054 1.00 0.00 C ATOM 2829 CG TYR B 75 75.925 4.737 -1.306 1.00 0.00 C ATOM 2830 CD1 TYR B 75 74.820 4.076 -1.855 1.00 0.00 C ATOM 2831 CD2 TYR B 75 77.136 4.778 -2.012 1.00 0.00 C ATOM 2832 CE1 TYR B 75 74.925 3.457 -3.107 1.00 0.00 C ATOM 2833 CE2 TYR B 75 77.238 4.158 -3.264 1.00 0.00 C ATOM 2834 CZ TYR B 75 76.133 3.499 -3.811 1.00 0.00 C ATOM 2835 OH TYR B 75 76.234 2.889 -5.044 1.00 0.00 O ATOM 0 H TYR B 75 75.965 5.865 2.502 1.00 0.00 H new ATOM 0 HA TYR B 75 74.340 4.116 0.941 1.00 0.00 H new ATOM 0 HB2 TYR B 75 75.083 6.207 0.015 1.00 0.00 H new ATOM 0 HB3 TYR B 75 76.768 5.841 0.333 1.00 0.00 H new ATOM 0 HD1 TYR B 75 73.886 4.043 -1.313 1.00 0.00 H new ATOM 0 HD2 TYR B 75 77.990 5.288 -1.590 1.00 0.00 H new ATOM 0 HE1 TYR B 75 74.072 2.947 -3.529 1.00 0.00 H new ATOM 0 HE2 TYR B 75 78.171 4.189 -3.807 1.00 0.00 H new ATOM 0 HH TYR B 75 75.541 3.241 -5.641 1.00 0.00 H new ATOM 2845 N CYS B 76 77.440 3.165 1.525 1.00 0.00 N ATOM 2846 CA CYS B 76 78.359 1.999 1.493 1.00 0.00 C ATOM 2847 C CYS B 76 77.771 0.892 2.359 1.00 0.00 C ATOM 2848 O CYS B 76 77.843 -0.273 2.022 1.00 0.00 O ATOM 2849 CB CYS B 76 79.728 2.410 2.041 1.00 0.00 C ATOM 2850 SG CYS B 76 80.390 3.771 1.048 1.00 0.00 S ATOM 0 H CYS B 76 77.815 3.990 1.994 1.00 0.00 H new ATOM 0 HA CYS B 76 78.478 1.646 0.469 1.00 0.00 H new ATOM 0 HB2 CYS B 76 79.638 2.716 3.083 1.00 0.00 H new ATOM 0 HB3 CYS B 76 80.412 1.561 2.016 1.00 0.00 H new ATOM 0 HG CYS B 76 79.757 4.869 1.339 1.00 0.00 H new ATOM 2856 N VAL B 77 77.168 1.240 3.469 1.00 0.00 N ATOM 2857 CA VAL B 77 76.568 0.181 4.317 1.00 0.00 C ATOM 2858 C VAL B 77 75.521 -0.531 3.471 1.00 0.00 C ATOM 2859 O VAL B 77 75.445 -1.743 3.446 1.00 0.00 O ATOM 2860 CB VAL B 77 75.910 0.817 5.547 1.00 0.00 C ATOM 2861 CG1 VAL B 77 75.082 -0.236 6.289 1.00 0.00 C ATOM 2862 CG2 VAL B 77 76.992 1.365 6.485 1.00 0.00 C ATOM 0 H VAL B 77 77.069 2.195 3.815 1.00 0.00 H new ATOM 0 HA VAL B 77 77.326 -0.522 4.663 1.00 0.00 H new ATOM 0 HB VAL B 77 75.261 1.631 5.226 1.00 0.00 H new ATOM 0 HG11 VAL B 77 74.615 0.218 7.163 1.00 0.00 H new ATOM 0 HG12 VAL B 77 74.309 -0.625 5.626 1.00 0.00 H new ATOM 0 HG13 VAL B 77 75.731 -1.052 6.607 1.00 0.00 H new ATOM 0 HG21 VAL B 77 76.522 1.817 7.358 1.00 0.00 H new ATOM 0 HG22 VAL B 77 77.643 0.551 6.804 1.00 0.00 H new ATOM 0 HG23 VAL B 77 77.581 2.117 5.961 1.00 0.00 H new ATOM 2872 N PHE B 78 74.738 0.215 2.739 1.00 0.00 N ATOM 2873 CA PHE B 78 73.732 -0.426 1.856 1.00 0.00 C ATOM 2874 C PHE B 78 74.471 -1.181 0.756 1.00 0.00 C ATOM 2875 O PHE B 78 74.096 -2.275 0.383 1.00 0.00 O ATOM 2876 CB PHE B 78 72.834 0.642 1.215 1.00 0.00 C ATOM 2877 CG PHE B 78 71.728 1.028 2.166 1.00 0.00 C ATOM 2878 CD1 PHE B 78 70.700 0.118 2.430 1.00 0.00 C ATOM 2879 CD2 PHE B 78 71.720 2.289 2.771 1.00 0.00 C ATOM 2880 CE1 PHE B 78 69.663 0.465 3.298 1.00 0.00 C ATOM 2881 CE2 PHE B 78 70.682 2.639 3.643 1.00 0.00 C ATOM 2882 CZ PHE B 78 69.653 1.726 3.906 1.00 0.00 C ATOM 0 H PHE B 78 74.754 1.235 2.717 1.00 0.00 H new ATOM 0 HA PHE B 78 73.111 -1.105 2.440 1.00 0.00 H new ATOM 0 HB2 PHE B 78 73.426 1.520 0.958 1.00 0.00 H new ATOM 0 HB3 PHE B 78 72.409 0.261 0.286 1.00 0.00 H new ATOM 0 HD1 PHE B 78 70.708 -0.855 1.962 1.00 0.00 H new ATOM 0 HD2 PHE B 78 72.514 2.992 2.566 1.00 0.00 H new ATOM 0 HE1 PHE B 78 68.869 -0.239 3.500 1.00 0.00 H new ATOM 0 HE2 PHE B 78 70.675 3.612 4.112 1.00 0.00 H new ATOM 0 HZ PHE B 78 68.852 1.995 4.578 1.00 0.00 H new ATOM 2892 N LEU B 79 75.523 -0.610 0.231 1.00 0.00 N ATOM 2893 CA LEU B 79 76.270 -1.316 -0.843 1.00 0.00 C ATOM 2894 C LEU B 79 76.912 -2.559 -0.223 1.00 0.00 C ATOM 2895 O LEU B 79 76.918 -3.628 -0.800 1.00 0.00 O ATOM 2896 CB LEU B 79 77.323 -0.364 -1.439 1.00 0.00 C ATOM 2897 CG LEU B 79 77.621 -0.722 -2.909 1.00 0.00 C ATOM 2898 CD1 LEU B 79 76.358 -0.524 -3.789 1.00 0.00 C ATOM 2899 CD2 LEU B 79 78.755 0.186 -3.414 1.00 0.00 C ATOM 0 H LEU B 79 75.891 0.303 0.497 1.00 0.00 H new ATOM 0 HA LEU B 79 75.611 -1.624 -1.655 1.00 0.00 H new ATOM 0 HB2 LEU B 79 76.966 0.664 -1.376 1.00 0.00 H new ATOM 0 HB3 LEU B 79 78.241 -0.419 -0.854 1.00 0.00 H new ATOM 0 HG LEU B 79 77.918 -1.769 -2.973 1.00 0.00 H new ATOM 0 HD11 LEU B 79 76.590 -0.782 -4.822 1.00 0.00 H new ATOM 0 HD12 LEU B 79 75.557 -1.167 -3.426 1.00 0.00 H new ATOM 0 HD13 LEU B 79 76.039 0.517 -3.738 1.00 0.00 H new ATOM 0 HD21 LEU B 79 78.978 -0.055 -4.453 1.00 0.00 H new ATOM 0 HD22 LEU B 79 78.446 1.229 -3.341 1.00 0.00 H new ATOM 0 HD23 LEU B 79 79.646 0.028 -2.806 1.00 0.00 H new ATOM 2911 N SER B 80 77.403 -2.423 0.974 1.00 0.00 N ATOM 2912 CA SER B 80 77.995 -3.588 1.687 1.00 0.00 C ATOM 2913 C SER B 80 76.857 -4.550 1.966 1.00 0.00 C ATOM 2914 O SER B 80 76.981 -5.747 1.823 1.00 0.00 O ATOM 2915 CB SER B 80 78.628 -3.139 3.004 1.00 0.00 C ATOM 2916 OG SER B 80 79.698 -2.243 2.729 1.00 0.00 O ATOM 0 H SER B 80 77.420 -1.546 1.495 1.00 0.00 H new ATOM 0 HA SER B 80 78.774 -4.057 1.086 1.00 0.00 H new ATOM 0 HB2 SER B 80 77.882 -2.651 3.632 1.00 0.00 H new ATOM 0 HB3 SER B 80 78.995 -4.003 3.558 1.00 0.00 H new ATOM 0 HG SER B 80 80.460 -2.744 2.369 1.00 0.00 H new ATOM 2922 N CYS B 81 75.725 -4.015 2.334 1.00 0.00 N ATOM 2923 CA CYS B 81 74.554 -4.878 2.596 1.00 0.00 C ATOM 2924 C CYS B 81 74.262 -5.634 1.314 1.00 0.00 C ATOM 2925 O CYS B 81 73.947 -6.808 1.331 1.00 0.00 O ATOM 2926 CB CYS B 81 73.341 -4.022 2.967 1.00 0.00 C ATOM 2927 SG CYS B 81 72.016 -5.092 3.582 1.00 0.00 S ATOM 0 H CYS B 81 75.567 -3.016 2.463 1.00 0.00 H new ATOM 0 HA CYS B 81 74.758 -5.560 3.421 1.00 0.00 H new ATOM 0 HB2 CYS B 81 73.616 -3.292 3.728 1.00 0.00 H new ATOM 0 HB3 CYS B 81 72.997 -3.462 2.097 1.00 0.00 H new ATOM 0 HG CYS B 81 70.985 -4.367 3.900 1.00 0.00 H new ATOM 2933 N ILE B 82 74.393 -4.983 0.185 1.00 0.00 N ATOM 2934 CA ILE B 82 74.144 -5.720 -1.086 1.00 0.00 C ATOM 2935 C ILE B 82 75.213 -6.803 -1.218 1.00 0.00 C ATOM 2936 O ILE B 82 74.937 -7.918 -1.611 1.00 0.00 O ATOM 2937 CB ILE B 82 74.203 -4.777 -2.295 1.00 0.00 C ATOM 2938 CG1 ILE B 82 72.986 -3.842 -2.276 1.00 0.00 C ATOM 2939 CG2 ILE B 82 74.181 -5.607 -3.584 1.00 0.00 C ATOM 2940 CD1 ILE B 82 73.146 -2.738 -3.333 1.00 0.00 C ATOM 0 H ILE B 82 74.654 -4.002 0.090 1.00 0.00 H new ATOM 0 HA ILE B 82 73.147 -6.160 -1.062 1.00 0.00 H new ATOM 0 HB ILE B 82 75.118 -4.186 -2.251 1.00 0.00 H new ATOM 0 HG12 ILE B 82 72.078 -4.412 -2.470 1.00 0.00 H new ATOM 0 HG13 ILE B 82 72.877 -3.396 -1.288 1.00 0.00 H new ATOM 0 HG21 ILE B 82 74.223 -4.941 -4.446 1.00 0.00 H new ATOM 0 HG22 ILE B 82 75.041 -6.276 -3.600 1.00 0.00 H new ATOM 0 HG23 ILE B 82 73.263 -6.194 -3.623 1.00 0.00 H new ATOM 0 HD11 ILE B 82 72.276 -2.082 -3.309 1.00 0.00 H new ATOM 0 HD12 ILE B 82 74.044 -2.158 -3.120 1.00 0.00 H new ATOM 0 HD13 ILE B 82 73.232 -3.190 -4.321 1.00 0.00 H new ATOM 2952 N ALA B 83 76.432 -6.490 -0.872 1.00 0.00 N ATOM 2953 CA ALA B 83 77.505 -7.517 -0.957 1.00 0.00 C ATOM 2954 C ALA B 83 77.188 -8.628 0.040 1.00 0.00 C ATOM 2955 O ALA B 83 77.334 -9.796 -0.245 1.00 0.00 O ATOM 2956 CB ALA B 83 78.850 -6.891 -0.600 1.00 0.00 C ATOM 0 H ALA B 83 76.729 -5.574 -0.536 1.00 0.00 H new ATOM 0 HA ALA B 83 77.556 -7.917 -1.970 1.00 0.00 H new ATOM 0 HB1 ALA B 83 79.632 -7.648 -0.664 1.00 0.00 H new ATOM 0 HB2 ALA B 83 79.071 -6.081 -1.296 1.00 0.00 H new ATOM 0 HB3 ALA B 83 78.810 -6.496 0.415 1.00 0.00 H new ATOM 2962 N MET B 84 76.733 -8.267 1.205 1.00 0.00 N ATOM 2963 CA MET B 84 76.380 -9.296 2.218 1.00 0.00 C ATOM 2964 C MET B 84 75.291 -10.178 1.632 1.00 0.00 C ATOM 2965 O MET B 84 75.243 -11.369 1.867 1.00 0.00 O ATOM 2966 CB MET B 84 75.879 -8.618 3.495 1.00 0.00 C ATOM 2967 CG MET B 84 77.036 -7.870 4.163 1.00 0.00 C ATOM 2968 SD MET B 84 78.155 -9.057 4.949 1.00 0.00 S ATOM 2969 CE MET B 84 79.689 -8.500 4.164 1.00 0.00 C ATOM 0 H MET B 84 76.590 -7.301 1.500 1.00 0.00 H new ATOM 0 HA MET B 84 77.254 -9.897 2.470 1.00 0.00 H new ATOM 0 HB2 MET B 84 75.072 -7.925 3.259 1.00 0.00 H new ATOM 0 HB3 MET B 84 75.470 -9.362 4.178 1.00 0.00 H new ATOM 0 HG2 MET B 84 77.577 -7.281 3.423 1.00 0.00 H new ATOM 0 HG3 MET B 84 76.650 -7.172 4.906 1.00 0.00 H new ATOM 0 HE1 MET B 84 80.543 -8.901 4.710 1.00 0.00 H new ATOM 0 HE2 MET B 84 79.719 -8.853 3.133 1.00 0.00 H new ATOM 0 HE3 MET B 84 79.729 -7.411 4.176 1.00 0.00 H new ATOM 2979 N MET B 85 74.425 -9.603 0.850 1.00 0.00 N ATOM 2980 CA MET B 85 73.352 -10.412 0.233 1.00 0.00 C ATOM 2981 C MET B 85 74.034 -11.482 -0.613 1.00 0.00 C ATOM 2982 O MET B 85 73.621 -12.625 -0.629 1.00 0.00 O ATOM 2983 CB MET B 85 72.472 -9.524 -0.653 1.00 0.00 C ATOM 2984 CG MET B 85 71.203 -10.285 -1.046 1.00 0.00 C ATOM 2985 SD MET B 85 70.311 -9.353 -2.317 1.00 0.00 S ATOM 2986 CE MET B 85 69.860 -7.923 -1.300 1.00 0.00 C ATOM 0 H MET B 85 74.416 -8.611 0.614 1.00 0.00 H new ATOM 0 HA MET B 85 72.716 -10.864 0.994 1.00 0.00 H new ATOM 0 HB2 MET B 85 72.209 -8.609 -0.121 1.00 0.00 H new ATOM 0 HB3 MET B 85 73.021 -9.227 -1.546 1.00 0.00 H new ATOM 0 HG2 MET B 85 71.461 -11.276 -1.420 1.00 0.00 H new ATOM 0 HG3 MET B 85 70.567 -10.430 -0.172 1.00 0.00 H new ATOM 0 HE1 MET B 85 68.856 -7.590 -1.565 1.00 0.00 H new ATOM 0 HE2 MET B 85 69.883 -8.204 -0.247 1.00 0.00 H new ATOM 0 HE3 MET B 85 70.569 -7.114 -1.476 1.00 0.00 H new ATOM 2996 N CYS B 86 75.096 -11.133 -1.300 1.00 0.00 N ATOM 2997 CA CYS B 86 75.803 -12.160 -2.111 1.00 0.00 C ATOM 2998 C CYS B 86 77.145 -11.608 -2.621 1.00 0.00 C ATOM 2999 O CYS B 86 77.311 -11.328 -3.791 1.00 0.00 O ATOM 3000 CB CYS B 86 74.902 -12.584 -3.287 1.00 0.00 C ATOM 3001 SG CYS B 86 74.002 -14.097 -2.858 1.00 0.00 S ATOM 0 H CYS B 86 75.495 -10.195 -1.331 1.00 0.00 H new ATOM 0 HA CYS B 86 76.014 -13.032 -1.492 1.00 0.00 H new ATOM 0 HB2 CYS B 86 74.198 -11.786 -3.524 1.00 0.00 H new ATOM 0 HB3 CYS B 86 75.507 -12.750 -4.179 1.00 0.00 H new ATOM 0 HG CYS B 86 73.256 -13.877 -1.816 1.00 0.00 H new ATOM 3007 N ASN B 87 78.105 -11.466 -1.748 1.00 0.00 N ATOM 3008 CA ASN B 87 79.439 -10.955 -2.178 1.00 0.00 C ATOM 3009 C ASN B 87 80.039 -11.931 -3.193 1.00 0.00 C ATOM 3010 O ASN B 87 80.646 -11.542 -4.172 1.00 0.00 O ATOM 3011 CB ASN B 87 80.365 -10.860 -0.963 1.00 0.00 C ATOM 3012 CG ASN B 87 81.726 -10.314 -1.400 1.00 0.00 C ATOM 3013 OD1 ASN B 87 81.844 -9.044 -1.675 1.00 0.00 O flip ATOM 3014 ND2 ASN B 87 82.689 -11.049 -1.492 1.00 0.00 N flip ATOM 0 H ASN B 87 78.024 -11.682 -0.754 1.00 0.00 H new ATOM 0 HA ASN B 87 79.329 -9.968 -2.628 1.00 0.00 H new ATOM 0 HB2 ASN B 87 79.926 -10.209 -0.208 1.00 0.00 H new ATOM 0 HB3 ASN B 87 80.485 -11.842 -0.506 1.00 0.00 H new ATOM 0 HD21 ASN B 87 82.595 -12.042 -1.277 1.00 0.00 H new ATOM 0 HD22 ASN B 87 83.591 -10.673 -1.784 1.00 0.00 H new ATOM 3021 N GLU B 88 79.867 -13.201 -2.951 1.00 0.00 N ATOM 3022 CA GLU B 88 80.411 -14.240 -3.872 1.00 0.00 C ATOM 3023 C GLU B 88 79.560 -14.292 -5.138 1.00 0.00 C ATOM 3024 O GLU B 88 79.886 -14.977 -6.084 1.00 0.00 O ATOM 3025 CB GLU B 88 80.357 -15.599 -3.175 1.00 0.00 C ATOM 3026 CG GLU B 88 81.348 -15.614 -2.013 1.00 0.00 C ATOM 3027 CD GLU B 88 81.288 -16.972 -1.312 1.00 0.00 C ATOM 3028 OE1 GLU B 88 80.690 -17.877 -1.869 1.00 0.00 O ATOM 3029 OE2 GLU B 88 81.834 -17.081 -0.226 1.00 0.00 O ATOM 0 H GLU B 88 79.365 -13.569 -2.143 1.00 0.00 H new ATOM 0 HA GLU B 88 81.440 -13.996 -4.135 1.00 0.00 H new ATOM 0 HB2 GLU B 88 79.348 -15.793 -2.810 1.00 0.00 H new ATOM 0 HB3 GLU B 88 80.597 -16.393 -3.883 1.00 0.00 H new ATOM 0 HG2 GLU B 88 82.357 -15.425 -2.379 1.00 0.00 H new ATOM 0 HG3 GLU B 88 81.111 -14.817 -1.308 1.00 0.00 H new ATOM 3036 N PHE B 89 78.457 -13.594 -5.134 1.00 0.00 N ATOM 3037 CA PHE B 89 77.532 -13.591 -6.309 1.00 0.00 C ATOM 3038 C PHE B 89 76.942 -14.989 -6.492 1.00 0.00 C ATOM 3039 O PHE B 89 76.161 -15.227 -7.392 1.00 0.00 O ATOM 3040 CB PHE B 89 78.276 -13.166 -7.585 1.00 0.00 C ATOM 3041 CG PHE B 89 78.984 -11.858 -7.332 1.00 0.00 C ATOM 3042 CD1 PHE B 89 78.266 -10.659 -7.371 1.00 0.00 C ATOM 3043 CD2 PHE B 89 80.357 -11.844 -7.055 1.00 0.00 C ATOM 3044 CE1 PHE B 89 78.917 -9.444 -7.133 1.00 0.00 C ATOM 3045 CE2 PHE B 89 81.009 -10.629 -6.816 1.00 0.00 C ATOM 3046 CZ PHE B 89 80.289 -9.428 -6.855 1.00 0.00 C ATOM 0 H PHE B 89 78.151 -13.014 -4.353 1.00 0.00 H new ATOM 0 HA PHE B 89 76.731 -12.875 -6.125 1.00 0.00 H new ATOM 0 HB2 PHE B 89 78.995 -13.933 -7.874 1.00 0.00 H new ATOM 0 HB3 PHE B 89 77.574 -13.060 -8.412 1.00 0.00 H new ATOM 0 HD1 PHE B 89 77.208 -10.671 -7.585 1.00 0.00 H new ATOM 0 HD2 PHE B 89 80.912 -12.770 -7.026 1.00 0.00 H new ATOM 0 HE1 PHE B 89 78.361 -8.518 -7.164 1.00 0.00 H new ATOM 0 HE2 PHE B 89 82.067 -10.617 -6.601 1.00 0.00 H new ATOM 0 HZ PHE B 89 80.792 -8.490 -6.671 1.00 0.00 H new ATOM 3056 N PHE B 90 77.300 -15.912 -5.629 1.00 0.00 N ATOM 3057 CA PHE B 90 76.756 -17.305 -5.720 1.00 0.00 C ATOM 3058 C PHE B 90 75.968 -17.618 -4.446 1.00 0.00 C ATOM 3059 O PHE B 90 74.772 -17.417 -4.376 1.00 0.00 O ATOM 3060 CB PHE B 90 77.916 -18.294 -5.853 1.00 0.00 C ATOM 3061 CG PHE B 90 78.627 -18.063 -7.168 1.00 0.00 C ATOM 3062 CD1 PHE B 90 77.989 -18.380 -8.373 1.00 0.00 C ATOM 3063 CD2 PHE B 90 79.924 -17.531 -7.181 1.00 0.00 C ATOM 3064 CE1 PHE B 90 78.646 -18.167 -9.591 1.00 0.00 C ATOM 3065 CE2 PHE B 90 80.580 -17.318 -8.398 1.00 0.00 C ATOM 3066 CZ PHE B 90 79.942 -17.636 -9.603 1.00 0.00 C ATOM 0 H PHE B 90 77.951 -15.758 -4.859 1.00 0.00 H new ATOM 0 HA PHE B 90 76.103 -17.390 -6.589 1.00 0.00 H new ATOM 0 HB2 PHE B 90 78.612 -18.168 -5.024 1.00 0.00 H new ATOM 0 HB3 PHE B 90 77.543 -19.317 -5.804 1.00 0.00 H new ATOM 0 HD1 PHE B 90 76.990 -18.789 -8.363 1.00 0.00 H new ATOM 0 HD2 PHE B 90 80.417 -17.286 -6.252 1.00 0.00 H new ATOM 0 HE1 PHE B 90 78.154 -18.412 -10.521 1.00 0.00 H new ATOM 0 HE2 PHE B 90 81.579 -16.908 -8.408 1.00 0.00 H new ATOM 0 HZ PHE B 90 80.449 -17.472 -10.542 1.00 0.00 H new ATOM 3076 N GLU B 91 76.635 -18.110 -3.436 1.00 0.00 N ATOM 3077 CA GLU B 91 75.936 -18.440 -2.159 1.00 0.00 C ATOM 3078 C GLU B 91 75.781 -17.168 -1.321 1.00 0.00 C ATOM 3079 O GLU B 91 76.726 -16.436 -1.107 1.00 0.00 O ATOM 3080 CB GLU B 91 76.752 -19.477 -1.380 1.00 0.00 C ATOM 3081 CG GLU B 91 76.016 -19.849 -0.089 1.00 0.00 C ATOM 3082 CD GLU B 91 76.808 -20.919 0.663 1.00 0.00 C ATOM 3083 OE1 GLU B 91 77.749 -21.443 0.090 1.00 0.00 O ATOM 3084 OE2 GLU B 91 76.458 -21.199 1.797 1.00 0.00 O ATOM 0 H GLU B 91 77.637 -18.298 -3.440 1.00 0.00 H new ATOM 0 HA GLU B 91 74.951 -18.851 -2.378 1.00 0.00 H new ATOM 0 HB2 GLU B 91 76.906 -20.366 -1.991 1.00 0.00 H new ATOM 0 HB3 GLU B 91 77.738 -19.076 -1.145 1.00 0.00 H new ATOM 0 HG2 GLU B 91 75.892 -18.966 0.538 1.00 0.00 H new ATOM 0 HG3 GLU B 91 75.017 -20.218 -0.321 1.00 0.00 H new ATOM 3091 N GLY B 92 74.594 -16.900 -0.846 1.00 0.00 N ATOM 3092 CA GLY B 92 74.375 -15.674 -0.023 1.00 0.00 C ATOM 3093 C GLY B 92 74.722 -15.957 1.441 1.00 0.00 C ATOM 3094 O GLY B 92 74.291 -16.939 2.013 1.00 0.00 O ATOM 0 H GLY B 92 73.766 -17.477 -0.992 1.00 0.00 H new ATOM 0 HA2 GLY B 92 74.991 -14.858 -0.400 1.00 0.00 H new ATOM 0 HA3 GLY B 92 73.337 -15.353 -0.104 1.00 0.00 H new ATOM 3098 N PHE B 93 75.492 -15.093 2.051 1.00 0.00 N ATOM 3099 CA PHE B 93 75.873 -15.282 3.485 1.00 0.00 C ATOM 3100 C PHE B 93 75.025 -14.329 4.356 1.00 0.00 C ATOM 3101 O PHE B 93 75.204 -13.130 4.278 1.00 0.00 O ATOM 3102 CB PHE B 93 77.354 -14.923 3.654 1.00 0.00 C ATOM 3103 CG PHE B 93 78.213 -16.004 3.033 1.00 0.00 C ATOM 3104 CD1 PHE B 93 78.207 -16.192 1.644 1.00 0.00 C ATOM 3105 CD2 PHE B 93 79.015 -16.819 3.844 1.00 0.00 C ATOM 3106 CE1 PHE B 93 78.999 -17.192 1.069 1.00 0.00 C ATOM 3107 CE2 PHE B 93 79.807 -17.819 3.267 1.00 0.00 C ATOM 3108 CZ PHE B 93 79.799 -18.006 1.880 1.00 0.00 C ATOM 0 H PHE B 93 75.877 -14.256 1.613 1.00 0.00 H new ATOM 0 HA PHE B 93 75.701 -16.315 3.786 1.00 0.00 H new ATOM 0 HB2 PHE B 93 77.562 -13.963 3.182 1.00 0.00 H new ATOM 0 HB3 PHE B 93 77.594 -14.816 4.712 1.00 0.00 H new ATOM 0 HD1 PHE B 93 77.591 -15.565 1.017 1.00 0.00 H new ATOM 0 HD2 PHE B 93 79.022 -16.675 4.914 1.00 0.00 H new ATOM 0 HE1 PHE B 93 78.993 -17.336 -0.001 1.00 0.00 H new ATOM 0 HE2 PHE B 93 80.424 -18.446 3.893 1.00 0.00 H new ATOM 0 HZ PHE B 93 80.410 -18.778 1.435 1.00 0.00 H new ATOM 3118 N PRO B 94 74.104 -14.815 5.174 1.00 0.00 N ATOM 3119 CA PRO B 94 73.281 -13.890 6.006 1.00 0.00 C ATOM 3120 C PRO B 94 74.140 -12.890 6.796 1.00 0.00 C ATOM 3121 O PRO B 94 75.067 -13.261 7.487 1.00 0.00 O ATOM 3122 CB PRO B 94 72.530 -14.858 6.938 1.00 0.00 C ATOM 3123 CG PRO B 94 72.648 -16.272 6.344 1.00 0.00 C ATOM 3124 CD PRO B 94 73.812 -16.272 5.337 1.00 0.00 C ATOM 0 HA PRO B 94 72.622 -13.257 5.412 1.00 0.00 H new ATOM 0 HB2 PRO B 94 72.955 -14.829 7.941 1.00 0.00 H new ATOM 0 HB3 PRO B 94 71.483 -14.567 7.027 1.00 0.00 H new ATOM 0 HG2 PRO B 94 72.827 -17.002 7.133 1.00 0.00 H new ATOM 0 HG3 PRO B 94 71.718 -16.557 5.851 1.00 0.00 H new ATOM 0 HD2 PRO B 94 74.676 -16.818 5.716 1.00 0.00 H new ATOM 0 HD3 PRO B 94 73.530 -16.737 4.392 1.00 0.00 H new ATOM 3132 N ASP B 95 73.827 -11.628 6.697 1.00 0.00 N ATOM 3133 CA ASP B 95 74.611 -10.597 7.438 1.00 0.00 C ATOM 3134 C ASP B 95 76.113 -10.839 7.228 1.00 0.00 C ATOM 3135 O ASP B 95 76.575 -10.950 6.111 1.00 0.00 O ATOM 3136 CB ASP B 95 74.259 -10.673 8.925 1.00 0.00 C ATOM 3137 CG ASP B 95 72.810 -10.223 9.122 1.00 0.00 C ATOM 3138 OD1 ASP B 95 72.267 -9.625 8.207 1.00 0.00 O ATOM 3139 OD2 ASP B 95 72.268 -10.483 10.184 1.00 0.00 O ATOM 0 H ASP B 95 73.059 -11.264 6.133 1.00 0.00 H new ATOM 0 HA ASP B 95 74.365 -9.603 7.063 1.00 0.00 H new ATOM 0 HB2 ASP B 95 74.389 -11.692 9.290 1.00 0.00 H new ATOM 0 HB3 ASP B 95 74.931 -10.039 9.503 1.00 0.00 H new ATOM 3144 N LYS B 96 76.887 -10.914 8.284 1.00 0.00 N ATOM 3145 CA LYS B 96 78.357 -11.140 8.117 1.00 0.00 C ATOM 3146 C LYS B 96 78.655 -12.643 8.113 1.00 0.00 C ATOM 3147 O LYS B 96 78.834 -13.246 7.074 1.00 0.00 O ATOM 3148 CB LYS B 96 79.112 -10.493 9.283 1.00 0.00 C ATOM 3149 CG LYS B 96 78.892 -8.980 9.275 1.00 0.00 C ATOM 3150 CD LYS B 96 79.654 -8.354 10.448 1.00 0.00 C ATOM 3151 CE LYS B 96 79.446 -6.836 10.459 1.00 0.00 C ATOM 3152 NZ LYS B 96 80.326 -6.201 9.437 1.00 0.00 N ATOM 0 H LYS B 96 76.567 -10.829 9.249 1.00 0.00 H new ATOM 0 HA LYS B 96 78.677 -10.698 7.174 1.00 0.00 H new ATOM 0 HB2 LYS B 96 78.768 -10.914 10.228 1.00 0.00 H new ATOM 0 HB3 LYS B 96 80.176 -10.714 9.205 1.00 0.00 H new ATOM 0 HG2 LYS B 96 79.238 -8.555 8.333 1.00 0.00 H new ATOM 0 HG3 LYS B 96 77.829 -8.755 9.355 1.00 0.00 H new ATOM 0 HD2 LYS B 96 79.307 -8.783 11.388 1.00 0.00 H new ATOM 0 HD3 LYS B 96 80.716 -8.583 10.366 1.00 0.00 H new ATOM 0 HE2 LYS B 96 78.402 -6.601 10.251 1.00 0.00 H new ATOM 0 HE3 LYS B 96 79.672 -6.435 11.447 1.00 0.00 H new ATOM 0 HZ1 LYS B 96 80.598 -5.249 9.756 1.00 0.00 H new ATOM 0 HZ2 LYS B 96 81.180 -6.780 9.306 1.00 0.00 H new ATOM 0 HZ3 LYS B 96 79.814 -6.130 8.534 1.00 0.00 H new ATOM 3166 N GLN B 97 78.708 -13.251 9.275 1.00 0.00 N ATOM 3167 CA GLN B 97 78.995 -14.720 9.361 1.00 0.00 C ATOM 3168 C GLN B 97 77.680 -15.470 9.642 1.00 0.00 C ATOM 3169 O GLN B 97 76.784 -14.921 10.252 1.00 0.00 O ATOM 3170 CB GLN B 97 79.984 -14.974 10.510 1.00 0.00 C ATOM 3171 CG GLN B 97 79.612 -14.104 11.718 1.00 0.00 C ATOM 3172 CD GLN B 97 80.257 -14.676 12.986 1.00 0.00 C ATOM 3173 OE1 GLN B 97 79.789 -15.656 13.529 1.00 0.00 O ATOM 3174 NE2 GLN B 97 81.321 -14.103 13.481 1.00 0.00 N ATOM 0 H GLN B 97 78.564 -12.790 10.173 1.00 0.00 H new ATOM 0 HA GLN B 97 79.427 -15.072 8.424 1.00 0.00 H new ATOM 0 HB2 GLN B 97 79.968 -16.027 10.790 1.00 0.00 H new ATOM 0 HB3 GLN B 97 80.999 -14.746 10.185 1.00 0.00 H new ATOM 0 HG2 GLN B 97 79.948 -13.080 11.558 1.00 0.00 H new ATOM 0 HG3 GLN B 97 78.529 -14.069 11.833 1.00 0.00 H new ATOM 0 HE21 GLN B 97 81.715 -13.280 13.026 1.00 0.00 H new ATOM 0 HE22 GLN B 97 81.758 -14.479 14.323 1.00 0.00 H new ATOM 3183 N PRO B 98 77.548 -16.711 9.217 1.00 0.00 N ATOM 3184 CA PRO B 98 76.294 -17.470 9.475 1.00 0.00 C ATOM 3185 C PRO B 98 75.849 -17.352 10.941 1.00 0.00 C ATOM 3186 O PRO B 98 76.586 -17.671 11.854 1.00 0.00 O ATOM 3187 CB PRO B 98 76.690 -18.916 9.103 1.00 0.00 C ATOM 3188 CG PRO B 98 78.132 -18.901 8.548 1.00 0.00 C ATOM 3189 CD PRO B 98 78.609 -17.439 8.465 1.00 0.00 C ATOM 0 HA PRO B 98 75.441 -17.102 8.906 1.00 0.00 H new ATOM 0 HB2 PRO B 98 76.627 -19.563 9.978 1.00 0.00 H new ATOM 0 HB3 PRO B 98 76.002 -19.318 8.359 1.00 0.00 H new ATOM 0 HG2 PRO B 98 78.793 -19.479 9.194 1.00 0.00 H new ATOM 0 HG3 PRO B 98 78.163 -19.366 7.563 1.00 0.00 H new ATOM 0 HD2 PRO B 98 79.591 -17.306 8.918 1.00 0.00 H new ATOM 0 HD3 PRO B 98 78.685 -17.095 7.434 1.00 0.00 H new ATOM 3197 N ARG B 99 74.653 -16.881 11.168 1.00 0.00 N ATOM 3198 CA ARG B 99 74.161 -16.724 12.566 1.00 0.00 C ATOM 3199 C ARG B 99 73.648 -18.071 13.091 1.00 0.00 C ATOM 3200 O ARG B 99 73.395 -18.231 14.268 1.00 0.00 O ATOM 3201 CB ARG B 99 73.020 -15.702 12.574 1.00 0.00 C ATOM 3202 CG ARG B 99 72.579 -15.422 14.012 1.00 0.00 C ATOM 3203 CD ARG B 99 71.596 -14.250 14.025 1.00 0.00 C ATOM 3204 NE ARG B 99 70.383 -14.610 13.238 1.00 0.00 N ATOM 3205 CZ ARG B 99 69.293 -13.904 13.364 1.00 0.00 C ATOM 3206 NH1 ARG B 99 69.272 -12.875 14.167 1.00 0.00 N ATOM 3207 NH2 ARG B 99 68.225 -14.223 12.684 1.00 0.00 N ATOM 0 H ARG B 99 73.994 -16.597 10.443 1.00 0.00 H new ATOM 0 HA ARG B 99 74.974 -16.381 13.207 1.00 0.00 H new ATOM 0 HB2 ARG B 99 73.346 -14.777 12.098 1.00 0.00 H new ATOM 0 HB3 ARG B 99 72.178 -16.080 11.994 1.00 0.00 H new ATOM 0 HG2 ARG B 99 72.110 -16.309 14.439 1.00 0.00 H new ATOM 0 HG3 ARG B 99 73.446 -15.190 14.631 1.00 0.00 H new ATOM 0 HD2 ARG B 99 71.318 -14.006 15.050 1.00 0.00 H new ATOM 0 HD3 ARG B 99 72.066 -13.362 13.602 1.00 0.00 H new ATOM 0 HE ARG B 99 70.405 -15.407 12.602 1.00 0.00 H new ATOM 0 HH11 ARG B 99 70.107 -12.623 14.695 1.00 0.00 H new ATOM 0 HH12 ARG B 99 68.420 -12.323 14.266 1.00 0.00 H new ATOM 0 HH21 ARG B 99 68.242 -15.025 12.054 1.00 0.00 H new ATOM 0 HH22 ARG B 99 67.373 -13.671 12.783 1.00 0.00 H new ATOM 3221 N LYS B 100 73.496 -19.040 12.232 1.00 0.00 N ATOM 3222 CA LYS B 100 72.999 -20.370 12.692 1.00 0.00 C ATOM 3223 C LYS B 100 74.071 -21.060 13.537 1.00 0.00 C ATOM 3224 O LYS B 100 75.254 -20.929 13.288 1.00 0.00 O ATOM 3225 CB LYS B 100 72.660 -21.238 11.478 1.00 0.00 C ATOM 3226 CG LYS B 100 71.441 -20.653 10.761 1.00 0.00 C ATOM 3227 CD LYS B 100 71.218 -21.383 9.429 1.00 0.00 C ATOM 3228 CE LYS B 100 70.830 -22.848 9.679 1.00 0.00 C ATOM 3229 NZ LYS B 100 72.063 -23.666 9.858 1.00 0.00 N ATOM 0 H LYS B 100 73.693 -18.971 11.234 1.00 0.00 H new ATOM 0 HA LYS B 100 72.103 -20.230 13.297 1.00 0.00 H new ATOM 0 HB2 LYS B 100 73.511 -21.280 10.798 1.00 0.00 H new ATOM 0 HB3 LYS B 100 72.454 -22.261 11.794 1.00 0.00 H new ATOM 0 HG2 LYS B 100 70.557 -20.749 11.391 1.00 0.00 H new ATOM 0 HG3 LYS B 100 71.590 -19.588 10.582 1.00 0.00 H new ATOM 0 HD2 LYS B 100 70.433 -20.884 8.861 1.00 0.00 H new ATOM 0 HD3 LYS B 100 72.125 -21.338 8.826 1.00 0.00 H new ATOM 0 HE2 LYS B 100 70.200 -22.922 10.565 1.00 0.00 H new ATOM 0 HE3 LYS B 100 70.247 -23.229 8.841 1.00 0.00 H new ATOM 0 HZ1 LYS B 100 72.056 -24.457 9.182 1.00 0.00 H new ATOM 0 HZ2 LYS B 100 72.901 -23.073 9.689 1.00 0.00 H new ATOM 0 HZ3 LYS B 100 72.094 -24.040 10.828 1.00 0.00 H new ATOM 3243 N LYS B 101 73.666 -21.801 14.537 1.00 0.00 N ATOM 3244 CA LYS B 101 74.653 -22.510 15.406 1.00 0.00 C ATOM 3245 C LYS B 101 74.817 -23.950 14.914 1.00 0.00 C ATOM 3246 O LYS B 101 73.844 -24.686 14.965 1.00 0.00 O ATOM 3247 CB LYS B 101 74.144 -22.525 16.851 1.00 0.00 C ATOM 3248 CG LYS B 101 75.176 -23.216 17.746 1.00 0.00 C ATOM 3249 CD LYS B 101 74.800 -23.018 19.219 1.00 0.00 C ATOM 3250 CE LYS B 101 73.418 -23.621 19.495 1.00 0.00 C ATOM 3251 NZ LYS B 101 73.264 -24.900 18.746 1.00 0.00 N ATOM 3252 OXT LYS B 101 75.910 -24.293 14.496 1.00 0.00 O ATOM 0 H LYS B 101 72.689 -21.946 14.790 1.00 0.00 H new ATOM 0 HA LYS B 101 75.612 -21.994 15.363 1.00 0.00 H new ATOM 0 HB2 LYS B 101 73.970 -21.506 17.197 1.00 0.00 H new ATOM 0 HB3 LYS B 101 73.189 -23.048 16.907 1.00 0.00 H new ATOM 0 HG2 LYS B 101 75.220 -24.280 17.512 1.00 0.00 H new ATOM 0 HG3 LYS B 101 76.168 -22.807 17.556 1.00 0.00 H new ATOM 0 HD2 LYS B 101 75.546 -23.489 19.859 1.00 0.00 H new ATOM 0 HD3 LYS B 101 74.797 -21.955 19.462 1.00 0.00 H new ATOM 0 HE2 LYS B 101 73.296 -23.798 20.564 1.00 0.00 H new ATOM 0 HE3 LYS B 101 72.639 -22.919 19.197 1.00 0.00 H new ATOM 0 HZ1 LYS B 101 72.528 -25.480 19.197 1.00 0.00 H new ATOM 0 HZ2 LYS B 101 72.990 -24.696 17.764 1.00 0.00 H new ATOM 0 HZ3 LYS B 101 74.166 -25.418 18.754 1.00 0.00 H new TER 3266 LYS B 101