USER MOD reduce.3.24.130724 H: found=0, std=0, add=1210, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1202 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 7 MET CE :methyl -117:sc= -13.5! (180deg=-8.7!) USER MOD Set 1.2: A 78 SER OG : rot 77:sc= 0.0761 USER MOD Set 1.3: A 81 THR OG1 : rot 80:sc= -2.68! USER MOD Set 1.4: B 7 MET CE :methyl -116:sc= -13.2! (180deg=-8.21!) USER MOD Set 1.5: B 78 SER OG : rot 77:sc= 0.0738 USER MOD Set 1.6: B 81 THR OG1 : rot 80:sc= -2.39! USER MOD Single : A 1 SER N :NH3+ -129:sc= 0.0813 (180deg=0) USER MOD Single : A 1 SER OG : rot -113:sc= -0.788 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.178 K(o=-0.18,f=-1) USER MOD Single : A 16 GLN : amide:sc= -0.211 K(o=-0.21,f=-1.5!) USER MOD Single : A 17 TYR OH : rot 9:sc= 0.931 USER MOD Single : A 18 SER OG : rot 101:sc= 0.642 USER MOD Single : A 25 HIS : no HD1:sc= -3.67! K(o=-3.7!,f=-1.6) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -145:sc= -0.391 (180deg=-1.91!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -164:sc= 0.00154 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -0.268 X(o=-0.27,f=-0.72) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 41 SER OG : rot 180:sc= -0.104 USER MOD Single : A 42 HIS : no HD1:sc= -0.0563 X(o=-0.056,f=-0.0095) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.0601 K(o=-0.06,f=-1.4) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl 162:sc= -0.937 (180deg=-2.63!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0501 USER MOD Single : A 68 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -1.74 K(o=-1.7,f=-0.35) USER MOD Single : A 74 MET CE :methyl -150:sc= -5.46! (180deg=-8.22!) USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot -84:sc= 0.349 USER MOD Single : B 1 SER N :NH3+ -130:sc= 0.0565 (180deg=0) USER MOD Single : B 1 SER OG : rot -114:sc= -0.845 USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 HIS : no HD1:sc= -0.195 K(o=-0.2,f=-1) USER MOD Single : B 16 GLN : amide:sc= -0.161 K(o=-0.16,f=-1.5!) USER MOD Single : B 17 TYR OH : rot 8:sc= 0.943 USER MOD Single : B 18 SER OG : rot 96:sc= 0.667 USER MOD Single : B 25 HIS : no HD1:sc= -3.66! K(o=-3.7!,f=-1.6) USER MOD Single : B 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 29 LYS NZ :NH3+ -143:sc= -0.359 (180deg=-1.85!) USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 33 LYS NZ :NH3+ -164:sc= 0.00197 (180deg=0) USER MOD Single : B 37 ASN : amide:sc= -0.278 X(o=-0.28,f=-0.73) USER MOD Single : B 38 ASN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : B 41 SER OG : rot 180:sc= -0.118 USER MOD Single : B 42 HIS : no HD1:sc= -0.0757 X(o=-0.076,f=0) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 GLN : amide:sc= -0.0528 K(o=-0.053,f=-1.3) USER MOD Single : B 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 57 MET CE :methyl 161:sc= -0.908 (180deg=-2.61!) USER MOD Single : B 59 THR OG1 : rot 180:sc= 0.0504 USER MOD Single : B 68 CYS SG : rot 180:sc= 0 USER MOD Single : B 71 GLN : amide:sc= -1.86 K(o=-1.9,f=-0.33) USER MOD Single : B 74 MET CE :methyl -148:sc= -5.25! (180deg=-8.31!) USER MOD Single : B 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 82 THR OG1 : rot -83:sc= 0.455 USER MOD ----------------------------------------------------------------- ATOM 20 N SER A 1 8.914 2.567 -13.788 1.00 0.00 N ATOM 21 CA SER A 1 9.241 1.329 -13.024 1.00 0.00 C ATOM 22 C SER A 1 7.947 0.637 -12.590 1.00 0.00 C ATOM 23 O SER A 1 6.864 1.148 -12.785 1.00 0.00 O ATOM 24 CB SER A 1 10.064 1.695 -11.790 1.00 0.00 C ATOM 25 OG SER A 1 9.202 1.815 -10.670 1.00 0.00 O ATOM 0 H1 SER A 1 9.437 2.568 -14.687 1.00 0.00 H new ATOM 0 H2 SER A 1 7.893 2.596 -13.981 1.00 0.00 H new ATOM 0 H3 SER A 1 9.184 3.401 -13.229 1.00 0.00 H new ATOM 0 HA SER A 1 9.816 0.654 -13.657 1.00 0.00 H new ATOM 0 HB2 SER A 1 10.819 0.931 -11.602 1.00 0.00 H new ATOM 0 HB3 SER A 1 10.594 2.633 -11.957 1.00 0.00 H new ATOM 0 HG SER A 1 9.178 2.749 -10.374 1.00 0.00 H new ATOM 31 N GLU A 2 8.050 -0.529 -12.011 1.00 0.00 N ATOM 32 CA GLU A 2 6.824 -1.260 -11.577 1.00 0.00 C ATOM 33 C GLU A 2 6.317 -0.703 -10.244 1.00 0.00 C ATOM 34 O GLU A 2 5.135 -0.725 -9.965 1.00 0.00 O ATOM 35 CB GLU A 2 7.155 -2.745 -11.406 1.00 0.00 C ATOM 36 CG GLU A 2 5.882 -3.576 -11.585 1.00 0.00 C ATOM 37 CD GLU A 2 5.972 -4.380 -12.883 1.00 0.00 C ATOM 38 OE1 GLU A 2 5.832 -3.782 -13.938 1.00 0.00 O ATOM 39 OE2 GLU A 2 6.181 -5.579 -12.802 1.00 0.00 O ATOM 0 H GLU A 2 8.930 -1.007 -11.820 1.00 0.00 H new ATOM 0 HA GLU A 2 6.050 -1.133 -12.334 1.00 0.00 H new ATOM 0 HB2 GLU A 2 7.905 -3.048 -12.136 1.00 0.00 H new ATOM 0 HB3 GLU A 2 7.582 -2.922 -10.419 1.00 0.00 H new ATOM 0 HG2 GLU A 2 5.753 -4.249 -10.737 1.00 0.00 H new ATOM 0 HG3 GLU A 2 5.010 -2.923 -11.610 1.00 0.00 H new ATOM 46 N LEU A 3 7.197 -0.220 -9.412 1.00 0.00 N ATOM 47 CA LEU A 3 6.756 0.318 -8.093 1.00 0.00 C ATOM 48 C LEU A 3 6.213 1.736 -8.254 1.00 0.00 C ATOM 49 O LEU A 3 5.124 2.048 -7.828 1.00 0.00 O ATOM 50 CB LEU A 3 7.947 0.351 -7.139 1.00 0.00 C ATOM 51 CG LEU A 3 7.450 0.567 -5.709 1.00 0.00 C ATOM 52 CD1 LEU A 3 6.795 -0.717 -5.194 1.00 0.00 C ATOM 53 CD2 LEU A 3 8.633 0.934 -4.811 1.00 0.00 C ATOM 0 H LEU A 3 8.201 -0.174 -9.587 1.00 0.00 H new ATOM 0 HA LEU A 3 5.971 -0.325 -7.695 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.505 -0.583 -7.204 1.00 0.00 H new ATOM 0 HB3 LEU A 3 8.631 1.151 -7.422 1.00 0.00 H new ATOM 0 HG LEU A 3 6.718 1.375 -5.696 1.00 0.00 H new ATOM 0 HD11 LEU A 3 6.441 -0.562 -4.175 1.00 0.00 H new ATOM 0 HD12 LEU A 3 5.953 -0.978 -5.835 1.00 0.00 H new ATOM 0 HD13 LEU A 3 7.524 -1.527 -5.205 1.00 0.00 H new ATOM 0 HD21 LEU A 3 8.281 1.089 -3.791 1.00 0.00 H new ATOM 0 HD22 LEU A 3 9.364 0.126 -4.824 1.00 0.00 H new ATOM 0 HD23 LEU A 3 9.097 1.850 -5.177 1.00 0.00 H new ATOM 65 N GLU A 4 6.970 2.603 -8.849 1.00 0.00 N ATOM 66 CA GLU A 4 6.504 4.007 -9.016 1.00 0.00 C ATOM 67 C GLU A 4 5.134 4.026 -9.699 1.00 0.00 C ATOM 68 O GLU A 4 4.208 4.657 -9.233 1.00 0.00 O ATOM 69 CB GLU A 4 7.513 4.775 -9.870 1.00 0.00 C ATOM 70 CG GLU A 4 6.953 6.157 -10.223 1.00 0.00 C ATOM 71 CD GLU A 4 7.100 6.402 -11.726 1.00 0.00 C ATOM 72 OE1 GLU A 4 7.442 5.466 -12.431 1.00 0.00 O ATOM 73 OE2 GLU A 4 6.866 7.523 -12.148 1.00 0.00 O ATOM 0 H GLU A 4 7.895 2.404 -9.230 1.00 0.00 H new ATOM 0 HA GLU A 4 6.418 4.477 -8.036 1.00 0.00 H new ATOM 0 HB2 GLU A 4 8.454 4.881 -9.329 1.00 0.00 H new ATOM 0 HB3 GLU A 4 7.730 4.218 -10.781 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.904 6.220 -9.935 1.00 0.00 H new ATOM 0 HG3 GLU A 4 7.483 6.929 -9.665 1.00 0.00 H new ATOM 80 N LYS A 5 4.997 3.352 -10.806 1.00 0.00 N ATOM 81 CA LYS A 5 3.689 3.352 -11.518 1.00 0.00 C ATOM 82 C LYS A 5 2.611 2.686 -10.657 1.00 0.00 C ATOM 83 O LYS A 5 1.458 3.065 -10.694 1.00 0.00 O ATOM 84 CB LYS A 5 3.829 2.582 -12.830 1.00 0.00 C ATOM 85 CG LYS A 5 5.071 3.070 -13.577 1.00 0.00 C ATOM 86 CD LYS A 5 4.652 4.050 -14.669 1.00 0.00 C ATOM 87 CE LYS A 5 4.809 5.484 -14.160 1.00 0.00 C ATOM 88 NZ LYS A 5 4.521 6.437 -15.268 1.00 0.00 N ATOM 0 H LYS A 5 5.733 2.802 -11.248 1.00 0.00 H new ATOM 0 HA LYS A 5 3.397 4.383 -11.717 1.00 0.00 H new ATOM 0 HB2 LYS A 5 3.908 1.513 -12.630 1.00 0.00 H new ATOM 0 HB3 LYS A 5 2.941 2.726 -13.445 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.760 3.553 -12.884 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.601 2.224 -14.015 1.00 0.00 H new ATOM 0 HD2 LYS A 5 5.263 3.901 -15.559 1.00 0.00 H new ATOM 0 HD3 LYS A 5 3.617 3.867 -14.958 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.129 5.662 -13.327 1.00 0.00 H new ATOM 0 HE3 LYS A 5 5.821 5.640 -13.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 4.627 7.412 -14.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 5.186 6.272 -16.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 3.548 6.293 -15.605 1.00 0.00 H new ATOM 102 N ALA A 6 2.967 1.691 -9.894 1.00 0.00 N ATOM 103 CA ALA A 6 1.952 0.997 -9.048 1.00 0.00 C ATOM 104 C ALA A 6 1.678 1.808 -7.778 1.00 0.00 C ATOM 105 O ALA A 6 0.635 2.411 -7.625 1.00 0.00 O ATOM 106 CB ALA A 6 2.479 -0.388 -8.666 1.00 0.00 C ATOM 0 H ALA A 6 3.917 1.327 -9.818 1.00 0.00 H new ATOM 0 HA ALA A 6 1.023 0.899 -9.610 1.00 0.00 H new ATOM 0 HB1 ALA A 6 1.742 -0.900 -8.048 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.662 -0.970 -9.570 1.00 0.00 H new ATOM 0 HB3 ALA A 6 3.410 -0.282 -8.108 1.00 0.00 H new ATOM 112 N MET A 7 2.606 1.815 -6.865 1.00 0.00 N ATOM 113 CA MET A 7 2.418 2.569 -5.596 1.00 0.00 C ATOM 114 C MET A 7 1.816 3.942 -5.892 1.00 0.00 C ATOM 115 O MET A 7 0.856 4.360 -5.275 1.00 0.00 O ATOM 116 CB MET A 7 3.780 2.753 -4.918 1.00 0.00 C ATOM 117 CG MET A 7 3.685 3.833 -3.834 1.00 0.00 C ATOM 118 SD MET A 7 2.228 3.535 -2.802 1.00 0.00 S ATOM 119 CE MET A 7 3.052 2.529 -1.547 1.00 0.00 C ATOM 0 H MET A 7 3.497 1.325 -6.945 1.00 0.00 H new ATOM 0 HA MET A 7 1.745 2.015 -4.942 1.00 0.00 H new ATOM 0 HB2 MET A 7 4.106 1.811 -4.477 1.00 0.00 H new ATOM 0 HB3 MET A 7 4.529 3.034 -5.658 1.00 0.00 H new ATOM 0 HG2 MET A 7 4.585 3.826 -3.220 1.00 0.00 H new ATOM 0 HG3 MET A 7 3.621 4.819 -4.294 1.00 0.00 H new ATOM 0 HE1 MET A 7 2.627 1.525 -1.548 1.00 0.00 H new ATOM 0 HE2 MET A 7 4.118 2.472 -1.769 1.00 0.00 H new ATOM 0 HE3 MET A 7 2.909 2.982 -0.566 1.00 0.00 H new ATOM 129 N VAL A 8 2.386 4.650 -6.819 1.00 0.00 N ATOM 130 CA VAL A 8 1.863 6.006 -7.143 1.00 0.00 C ATOM 131 C VAL A 8 0.471 5.892 -7.768 1.00 0.00 C ATOM 132 O VAL A 8 -0.382 6.728 -7.552 1.00 0.00 O ATOM 133 CB VAL A 8 2.816 6.704 -8.109 1.00 0.00 C ATOM 134 CG1 VAL A 8 2.431 8.177 -8.224 1.00 0.00 C ATOM 135 CG2 VAL A 8 4.248 6.605 -7.576 1.00 0.00 C ATOM 0 H VAL A 8 3.192 4.351 -7.368 1.00 0.00 H new ATOM 0 HA VAL A 8 1.790 6.593 -6.227 1.00 0.00 H new ATOM 0 HB VAL A 8 2.753 6.226 -9.087 1.00 0.00 H new ATOM 0 HG11 VAL A 8 3.110 8.678 -8.914 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.410 8.258 -8.597 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.497 8.648 -7.243 1.00 0.00 H new ATOM 0 HG21 VAL A 8 4.928 7.104 -8.266 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.307 7.085 -6.599 1.00 0.00 H new ATOM 0 HG23 VAL A 8 4.530 5.556 -7.483 1.00 0.00 H new ATOM 145 N ALA A 9 0.226 4.863 -8.534 1.00 0.00 N ATOM 146 CA ALA A 9 -1.120 4.710 -9.154 1.00 0.00 C ATOM 147 C ALA A 9 -2.174 4.675 -8.046 1.00 0.00 C ATOM 148 O ALA A 9 -3.227 5.269 -8.159 1.00 0.00 O ATOM 149 CB ALA A 9 -1.174 3.408 -9.959 1.00 0.00 C ATOM 0 H ALA A 9 0.896 4.126 -8.756 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.315 5.548 -9.823 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.160 3.300 -10.411 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -0.417 3.433 -10.743 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.984 2.563 -9.297 1.00 0.00 H new ATOM 155 N LEU A 10 -1.893 3.992 -6.969 1.00 0.00 N ATOM 156 CA LEU A 10 -2.873 3.933 -5.849 1.00 0.00 C ATOM 157 C LEU A 10 -3.191 5.358 -5.398 1.00 0.00 C ATOM 158 O LEU A 10 -4.336 5.759 -5.339 1.00 0.00 O ATOM 159 CB LEU A 10 -2.272 3.149 -4.682 1.00 0.00 C ATOM 160 CG LEU A 10 -3.115 1.901 -4.413 1.00 0.00 C ATOM 161 CD1 LEU A 10 -2.196 0.732 -4.062 1.00 0.00 C ATOM 162 CD2 LEU A 10 -4.064 2.171 -3.242 1.00 0.00 C ATOM 0 H LEU A 10 -1.028 3.473 -6.817 1.00 0.00 H new ATOM 0 HA LEU A 10 -3.785 3.436 -6.180 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.246 2.864 -4.913 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.236 3.775 -3.790 1.00 0.00 H new ATOM 0 HG LEU A 10 -3.694 1.654 -5.303 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.796 -0.158 -3.870 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.518 0.540 -4.893 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.618 0.978 -3.172 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.666 1.283 -3.049 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.484 2.417 -2.353 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -4.719 3.006 -3.490 1.00 0.00 H new ATOM 174 N ILE A 11 -2.186 6.135 -5.090 1.00 0.00 N ATOM 175 CA ILE A 11 -2.442 7.537 -4.659 1.00 0.00 C ATOM 176 C ILE A 11 -3.378 8.190 -5.676 1.00 0.00 C ATOM 177 O ILE A 11 -4.148 9.072 -5.355 1.00 0.00 O ATOM 178 CB ILE A 11 -1.120 8.309 -4.599 1.00 0.00 C ATOM 179 CG1 ILE A 11 -0.339 7.884 -3.354 1.00 0.00 C ATOM 180 CG2 ILE A 11 -1.401 9.812 -4.531 1.00 0.00 C ATOM 181 CD1 ILE A 11 0.334 6.535 -3.607 1.00 0.00 C ATOM 0 H ILE A 11 -1.204 5.860 -5.119 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.899 7.548 -3.669 1.00 0.00 H new ATOM 0 HB ILE A 11 -0.535 8.090 -5.493 1.00 0.00 H new ATOM 0 HG12 ILE A 11 0.411 8.636 -3.109 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.010 7.812 -2.498 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.458 10.357 -4.488 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.958 10.119 -5.417 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.988 10.032 -3.639 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.890 6.234 -2.719 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -0.425 5.786 -3.831 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.018 6.622 -4.451 1.00 0.00 H new ATOM 193 N ASP A 12 -3.318 7.750 -6.904 1.00 0.00 N ATOM 194 CA ASP A 12 -4.204 8.326 -7.952 1.00 0.00 C ATOM 195 C ASP A 12 -5.661 8.025 -7.595 1.00 0.00 C ATOM 196 O ASP A 12 -6.501 8.902 -7.591 1.00 0.00 O ATOM 197 CB ASP A 12 -3.868 7.695 -9.304 1.00 0.00 C ATOM 198 CG ASP A 12 -4.296 8.638 -10.430 1.00 0.00 C ATOM 199 OD1 ASP A 12 -4.566 9.791 -10.137 1.00 0.00 O ATOM 200 OD2 ASP A 12 -4.344 8.190 -11.563 1.00 0.00 O ATOM 0 H ASP A 12 -2.690 7.013 -7.226 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.055 9.404 -8.010 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -2.798 7.497 -9.369 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -4.376 6.736 -9.406 1.00 0.00 H new ATOM 205 N VAL A 13 -5.964 6.792 -7.289 1.00 0.00 N ATOM 206 CA VAL A 13 -7.366 6.439 -6.927 1.00 0.00 C ATOM 207 C VAL A 13 -7.870 7.417 -5.865 1.00 0.00 C ATOM 208 O VAL A 13 -9.019 7.811 -5.864 1.00 0.00 O ATOM 209 CB VAL A 13 -7.413 5.016 -6.361 1.00 0.00 C ATOM 210 CG1 VAL A 13 -8.819 4.727 -5.840 1.00 0.00 C ATOM 211 CG2 VAL A 13 -7.072 4.007 -7.456 1.00 0.00 C ATOM 0 H VAL A 13 -5.302 6.016 -7.274 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.994 6.496 -7.816 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.688 4.930 -5.551 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.857 3.715 -5.436 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -9.070 5.440 -5.055 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -9.536 4.819 -6.656 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.108 2.998 -7.045 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.794 4.094 -8.268 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.071 4.208 -7.837 1.00 0.00 H new ATOM 221 N PHE A 14 -7.018 7.806 -4.958 1.00 0.00 N ATOM 222 CA PHE A 14 -7.440 8.755 -3.889 1.00 0.00 C ATOM 223 C PHE A 14 -7.910 10.067 -4.520 1.00 0.00 C ATOM 224 O PHE A 14 -8.893 10.648 -4.108 1.00 0.00 O ATOM 225 CB PHE A 14 -6.256 9.034 -2.965 1.00 0.00 C ATOM 226 CG PHE A 14 -6.760 9.363 -1.581 1.00 0.00 C ATOM 227 CD1 PHE A 14 -7.405 10.580 -1.343 1.00 0.00 C ATOM 228 CD2 PHE A 14 -6.580 8.450 -0.537 1.00 0.00 C ATOM 229 CE1 PHE A 14 -7.872 10.887 -0.060 1.00 0.00 C ATOM 230 CE2 PHE A 14 -7.048 8.754 0.747 1.00 0.00 C ATOM 231 CZ PHE A 14 -7.694 9.973 0.986 1.00 0.00 C ATOM 0 H PHE A 14 -6.044 7.507 -4.911 1.00 0.00 H new ATOM 0 HA PHE A 14 -8.258 8.316 -3.318 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -5.599 8.165 -2.927 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -5.665 9.863 -3.354 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -7.543 11.284 -2.150 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -6.080 7.511 -0.721 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -8.369 11.828 0.123 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -6.911 8.048 1.553 1.00 0.00 H new ATOM 0 HZ PHE A 14 -8.055 10.208 1.976 1.00 0.00 H new ATOM 241 N HIS A 15 -7.215 10.541 -5.516 1.00 0.00 N ATOM 242 CA HIS A 15 -7.624 11.817 -6.169 1.00 0.00 C ATOM 243 C HIS A 15 -8.918 11.595 -6.952 1.00 0.00 C ATOM 244 O HIS A 15 -9.622 12.528 -7.281 1.00 0.00 O ATOM 245 CB HIS A 15 -6.524 12.277 -7.125 1.00 0.00 C ATOM 246 CG HIS A 15 -6.797 13.690 -7.562 1.00 0.00 C ATOM 247 ND1 HIS A 15 -7.602 14.548 -6.830 1.00 0.00 N ATOM 248 CD2 HIS A 15 -6.379 14.409 -8.653 1.00 0.00 C ATOM 249 CE1 HIS A 15 -7.643 15.723 -7.484 1.00 0.00 C ATOM 250 NE2 HIS A 15 -6.914 15.693 -8.602 1.00 0.00 N ATOM 0 H HIS A 15 -6.382 10.101 -5.906 1.00 0.00 H new ATOM 0 HA HIS A 15 -7.785 12.580 -5.407 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -5.553 12.218 -6.634 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -6.483 11.618 -7.993 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -5.733 14.035 -9.433 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -8.198 16.585 -7.146 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -6.778 16.448 -9.274 1.00 0.00 H new ATOM 258 N GLN A 16 -9.234 10.366 -7.256 1.00 0.00 N ATOM 259 CA GLN A 16 -10.480 10.083 -8.022 1.00 0.00 C ATOM 260 C GLN A 16 -11.685 10.135 -7.080 1.00 0.00 C ATOM 261 O GLN A 16 -12.636 10.852 -7.315 1.00 0.00 O ATOM 262 CB GLN A 16 -10.381 8.693 -8.654 1.00 0.00 C ATOM 263 CG GLN A 16 -10.947 8.739 -10.075 1.00 0.00 C ATOM 264 CD GLN A 16 -9.962 9.470 -10.989 1.00 0.00 C ATOM 265 OE1 GLN A 16 -8.765 9.377 -10.810 1.00 0.00 O ATOM 266 NE2 GLN A 16 -10.420 10.199 -11.971 1.00 0.00 N ATOM 0 H GLN A 16 -8.682 9.545 -7.007 1.00 0.00 H new ATOM 0 HA GLN A 16 -10.604 10.831 -8.805 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -9.342 8.364 -8.675 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -10.932 7.969 -8.054 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -11.120 7.728 -10.443 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -11.911 9.248 -10.078 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -11.426 10.277 -12.122 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -9.772 10.690 -12.587 1.00 0.00 H new ATOM 275 N TYR A 17 -11.652 9.382 -6.016 1.00 0.00 N ATOM 276 CA TYR A 17 -12.796 9.393 -5.062 1.00 0.00 C ATOM 277 C TYR A 17 -12.695 10.625 -4.161 1.00 0.00 C ATOM 278 O TYR A 17 -13.613 11.414 -4.065 1.00 0.00 O ATOM 279 CB TYR A 17 -12.753 8.130 -4.201 1.00 0.00 C ATOM 280 CG TYR A 17 -12.971 6.917 -5.073 1.00 0.00 C ATOM 281 CD1 TYR A 17 -11.929 6.434 -5.871 1.00 0.00 C ATOM 282 CD2 TYR A 17 -14.215 6.276 -5.083 1.00 0.00 C ATOM 283 CE1 TYR A 17 -12.130 5.308 -6.680 1.00 0.00 C ATOM 284 CE2 TYR A 17 -14.417 5.150 -5.892 1.00 0.00 C ATOM 285 CZ TYR A 17 -13.375 4.666 -6.690 1.00 0.00 C ATOM 286 OH TYR A 17 -13.573 3.556 -7.487 1.00 0.00 O ATOM 0 H TYR A 17 -10.883 8.760 -5.766 1.00 0.00 H new ATOM 0 HA TYR A 17 -13.733 9.423 -5.618 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -11.792 8.057 -3.692 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -13.520 8.178 -3.428 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -10.969 6.929 -5.864 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -15.020 6.649 -4.467 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -11.325 4.935 -7.296 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -15.377 4.656 -5.899 1.00 0.00 H new ATOM 0 HH TYR A 17 -12.716 3.267 -7.865 1.00 0.00 H new ATOM 296 N SER A 18 -11.583 10.793 -3.499 1.00 0.00 N ATOM 297 CA SER A 18 -11.414 11.970 -2.602 1.00 0.00 C ATOM 298 C SER A 18 -10.937 13.171 -3.422 1.00 0.00 C ATOM 299 O SER A 18 -9.852 13.680 -3.226 1.00 0.00 O ATOM 300 CB SER A 18 -10.378 11.638 -1.529 1.00 0.00 C ATOM 301 OG SER A 18 -10.703 12.331 -0.331 1.00 0.00 O ATOM 0 H SER A 18 -10.782 10.163 -3.541 1.00 0.00 H new ATOM 0 HA SER A 18 -12.366 12.212 -2.129 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.358 10.563 -1.347 1.00 0.00 H new ATOM 0 HB3 SER A 18 -9.382 11.923 -1.868 1.00 0.00 H new ATOM 0 HG SER A 18 -11.137 11.715 0.296 1.00 0.00 H new ATOM 394 N HIS A 25 -8.725 15.391 0.455 1.00 0.00 N ATOM 395 CA HIS A 25 -7.495 14.723 0.952 1.00 0.00 C ATOM 396 C HIS A 25 -7.874 13.720 2.054 1.00 0.00 C ATOM 397 O HIS A 25 -7.024 13.140 2.697 1.00 0.00 O ATOM 398 CB HIS A 25 -6.529 15.806 1.476 1.00 0.00 C ATOM 399 CG HIS A 25 -6.162 15.576 2.922 1.00 0.00 C ATOM 400 ND1 HIS A 25 -4.851 15.412 3.337 1.00 0.00 N ATOM 401 CD2 HIS A 25 -6.928 15.485 4.057 1.00 0.00 C ATOM 402 CE1 HIS A 25 -4.866 15.232 4.670 1.00 0.00 C ATOM 403 NE2 HIS A 25 -6.106 15.267 5.159 1.00 0.00 N ATOM 0 HA HIS A 25 -6.999 14.171 0.154 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -5.625 15.812 0.868 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -6.991 16.788 1.370 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -8.004 15.570 4.090 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -3.982 15.078 5.271 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -6.391 15.157 6.132 1.00 0.00 H new ATOM 411 N LYS A 26 -9.144 13.514 2.270 1.00 0.00 N ATOM 412 CA LYS A 26 -9.574 12.554 3.324 1.00 0.00 C ATOM 413 C LYS A 26 -10.641 11.621 2.750 1.00 0.00 C ATOM 414 O LYS A 26 -11.586 12.057 2.124 1.00 0.00 O ATOM 415 CB LYS A 26 -10.157 13.327 4.508 1.00 0.00 C ATOM 416 CG LYS A 26 -11.324 14.191 4.027 1.00 0.00 C ATOM 417 CD LYS A 26 -11.425 15.445 4.899 1.00 0.00 C ATOM 418 CE LYS A 26 -12.244 15.130 6.151 1.00 0.00 C ATOM 419 NZ LYS A 26 -12.250 16.318 7.052 1.00 0.00 N ATOM 0 H LYS A 26 -9.902 13.969 1.762 1.00 0.00 H new ATOM 0 HA LYS A 26 -8.718 11.969 3.659 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -10.497 12.633 5.277 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -9.389 13.954 4.961 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -11.177 14.471 2.984 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -12.254 13.625 4.077 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -10.429 15.787 5.180 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -11.894 16.254 4.339 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -13.264 14.865 5.874 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -11.820 14.269 6.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -12.807 16.105 7.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.274 16.551 7.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -12.673 17.128 6.556 1.00 0.00 H new ATOM 433 N LEU A 27 -10.498 10.341 2.953 1.00 0.00 N ATOM 434 CA LEU A 27 -11.505 9.384 2.415 1.00 0.00 C ATOM 435 C LEU A 27 -12.538 9.070 3.496 1.00 0.00 C ATOM 436 O LEU A 27 -12.752 9.848 4.406 1.00 0.00 O ATOM 437 CB LEU A 27 -10.800 8.095 1.985 1.00 0.00 C ATOM 438 CG LEU A 27 -11.101 7.816 0.511 1.00 0.00 C ATOM 439 CD1 LEU A 27 -10.158 6.730 -0.008 1.00 0.00 C ATOM 440 CD2 LEU A 27 -12.548 7.344 0.367 1.00 0.00 C ATOM 0 H LEU A 27 -9.727 9.916 3.468 1.00 0.00 H new ATOM 0 HA LEU A 27 -12.008 9.826 1.555 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.725 8.188 2.136 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.137 7.261 2.600 1.00 0.00 H new ATOM 0 HG LEU A 27 -10.956 8.729 -0.067 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -10.374 6.532 -1.058 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -9.126 7.065 0.094 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.301 5.817 0.570 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -12.763 7.145 -0.683 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -12.693 6.432 0.946 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -13.222 8.118 0.735 1.00 0.00 H new ATOM 452 N LYS A 28 -13.183 7.940 3.405 1.00 0.00 N ATOM 453 CA LYS A 28 -14.201 7.577 4.426 1.00 0.00 C ATOM 454 C LYS A 28 -14.246 6.054 4.573 1.00 0.00 C ATOM 455 O LYS A 28 -13.749 5.327 3.736 1.00 0.00 O ATOM 456 CB LYS A 28 -15.571 8.087 3.978 1.00 0.00 C ATOM 457 CG LYS A 28 -15.700 9.574 4.318 1.00 0.00 C ATOM 458 CD LYS A 28 -17.070 10.083 3.869 1.00 0.00 C ATOM 459 CE LYS A 28 -18.098 9.815 4.966 1.00 0.00 C ATOM 460 NZ LYS A 28 -18.896 11.050 5.207 1.00 0.00 N ATOM 0 H LYS A 28 -13.047 7.251 2.665 1.00 0.00 H new ATOM 0 HA LYS A 28 -13.940 8.029 5.383 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -15.694 7.937 2.905 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -16.361 7.521 4.472 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -15.578 9.725 5.391 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -14.910 10.141 3.825 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -17.021 11.151 3.655 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -17.370 9.586 2.946 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -18.754 8.996 4.673 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -17.596 9.508 5.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -19.597 10.870 5.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -18.263 11.820 5.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -19.386 11.323 4.331 1.00 0.00 H new ATOM 474 N LYS A 29 -14.836 5.563 5.627 1.00 0.00 N ATOM 475 CA LYS A 29 -14.908 4.086 5.817 1.00 0.00 C ATOM 476 C LYS A 29 -15.969 3.505 4.882 1.00 0.00 C ATOM 477 O LYS A 29 -15.906 2.357 4.489 1.00 0.00 O ATOM 478 CB LYS A 29 -15.276 3.774 7.267 1.00 0.00 C ATOM 479 CG LYS A 29 -14.302 4.494 8.202 1.00 0.00 C ATOM 480 CD LYS A 29 -14.807 4.393 9.642 1.00 0.00 C ATOM 481 CE LYS A 29 -14.055 3.278 10.373 1.00 0.00 C ATOM 482 NZ LYS A 29 -12.876 3.856 11.078 1.00 0.00 N ATOM 0 H LYS A 29 -15.271 6.118 6.364 1.00 0.00 H new ATOM 0 HA LYS A 29 -13.939 3.642 5.588 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -16.298 4.093 7.472 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -15.237 2.699 7.441 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -13.309 4.051 8.122 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -14.208 5.540 7.911 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -14.660 5.342 10.157 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -15.878 4.189 9.649 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -14.715 2.787 11.088 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -13.731 2.517 9.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.091 3.174 11.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.584 4.734 10.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -13.129 4.063 12.065 1.00 0.00 H new ATOM 496 N SER A 30 -16.944 4.293 4.519 1.00 0.00 N ATOM 497 CA SER A 30 -18.008 3.790 3.603 1.00 0.00 C ATOM 498 C SER A 30 -17.494 3.824 2.163 1.00 0.00 C ATOM 499 O SER A 30 -17.798 2.958 1.366 1.00 0.00 O ATOM 500 CB SER A 30 -19.247 4.676 3.727 1.00 0.00 C ATOM 501 OG SER A 30 -20.246 4.214 2.828 1.00 0.00 O ATOM 0 H SER A 30 -17.050 5.263 4.817 1.00 0.00 H new ATOM 0 HA SER A 30 -18.268 2.766 3.871 1.00 0.00 H new ATOM 0 HB2 SER A 30 -19.623 4.654 4.750 1.00 0.00 H new ATOM 0 HB3 SER A 30 -18.991 5.712 3.504 1.00 0.00 H new ATOM 0 HG SER A 30 -21.043 4.779 2.906 1.00 0.00 H new ATOM 507 N GLU A 31 -16.702 4.807 1.826 1.00 0.00 N ATOM 508 CA GLU A 31 -16.157 4.877 0.446 1.00 0.00 C ATOM 509 C GLU A 31 -14.896 4.023 0.393 1.00 0.00 C ATOM 510 O GLU A 31 -14.455 3.607 -0.657 1.00 0.00 O ATOM 511 CB GLU A 31 -15.820 6.328 0.093 1.00 0.00 C ATOM 512 CG GLU A 31 -16.025 6.547 -1.407 1.00 0.00 C ATOM 513 CD GLU A 31 -15.952 8.043 -1.717 1.00 0.00 C ATOM 514 OE1 GLU A 31 -15.225 8.739 -1.026 1.00 0.00 O ATOM 515 OE2 GLU A 31 -16.623 8.468 -2.642 1.00 0.00 O ATOM 0 H GLU A 31 -16.411 5.561 2.448 1.00 0.00 H new ATOM 0 HA GLU A 31 -16.892 4.510 -0.270 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -16.454 7.009 0.661 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -14.789 6.550 0.367 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -15.263 6.010 -1.972 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -16.991 6.147 -1.715 1.00 0.00 H new ATOM 522 N LEU A 32 -14.327 3.738 1.531 1.00 0.00 N ATOM 523 CA LEU A 32 -13.118 2.880 1.561 1.00 0.00 C ATOM 524 C LEU A 32 -13.585 1.431 1.451 1.00 0.00 C ATOM 525 O LEU A 32 -12.990 0.620 0.779 1.00 0.00 O ATOM 526 CB LEU A 32 -12.367 3.085 2.880 1.00 0.00 C ATOM 527 CG LEU A 32 -11.311 1.990 3.041 1.00 0.00 C ATOM 528 CD1 LEU A 32 -10.461 1.913 1.773 1.00 0.00 C ATOM 529 CD2 LEU A 32 -10.413 2.320 4.235 1.00 0.00 C ATOM 0 H LEU A 32 -14.650 4.065 2.442 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.445 3.132 0.741 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.893 4.067 2.892 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -13.065 3.058 3.717 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.803 1.032 3.209 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.708 1.133 1.886 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.099 1.680 0.921 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.969 2.871 1.606 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.660 1.540 4.351 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.921 3.278 4.066 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.018 2.378 5.140 1.00 0.00 H new ATOM 541 N LYS A 33 -14.673 1.118 2.100 1.00 0.00 N ATOM 542 CA LYS A 33 -15.223 -0.264 2.039 1.00 0.00 C ATOM 543 C LYS A 33 -15.537 -0.609 0.586 1.00 0.00 C ATOM 544 O LYS A 33 -15.333 -1.720 0.137 1.00 0.00 O ATOM 545 CB LYS A 33 -16.511 -0.320 2.861 1.00 0.00 C ATOM 546 CG LYS A 33 -16.742 -1.748 3.364 1.00 0.00 C ATOM 547 CD LYS A 33 -18.243 -2.036 3.412 1.00 0.00 C ATOM 548 CE LYS A 33 -18.499 -3.288 4.252 1.00 0.00 C ATOM 549 NZ LYS A 33 -19.633 -3.036 5.184 1.00 0.00 N ATOM 0 H LYS A 33 -15.209 1.768 2.675 1.00 0.00 H new ATOM 0 HA LYS A 33 -14.499 -0.974 2.438 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -16.445 0.367 3.705 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -17.356 0.003 2.253 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -16.245 -2.461 2.706 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -16.306 -1.871 4.355 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -18.773 -1.185 3.839 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -18.629 -2.178 2.402 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -18.728 -4.134 3.604 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -17.603 -3.551 4.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -19.638 -3.762 5.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -19.525 -2.097 5.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -20.529 -3.074 4.658 1.00 0.00 H new ATOM 563 N GLU A 34 -16.031 0.344 -0.150 1.00 0.00 N ATOM 564 CA GLU A 34 -16.360 0.096 -1.579 1.00 0.00 C ATOM 565 C GLU A 34 -15.065 0.121 -2.388 1.00 0.00 C ATOM 566 O GLU A 34 -14.852 -0.674 -3.282 1.00 0.00 O ATOM 567 CB GLU A 34 -17.326 1.191 -2.065 1.00 0.00 C ATOM 568 CG GLU A 34 -16.560 2.447 -2.496 1.00 0.00 C ATOM 569 CD GLU A 34 -17.504 3.386 -3.249 1.00 0.00 C ATOM 570 OE1 GLU A 34 -18.671 3.049 -3.368 1.00 0.00 O ATOM 571 OE2 GLU A 34 -17.046 4.427 -3.692 1.00 0.00 O ATOM 0 H GLU A 34 -16.222 1.290 0.179 1.00 0.00 H new ATOM 0 HA GLU A 34 -16.839 -0.875 -1.704 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -17.916 0.816 -2.901 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -18.026 1.443 -1.269 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -16.148 2.952 -1.623 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -15.719 2.173 -3.132 1.00 0.00 H new ATOM 578 N LEU A 35 -14.202 1.036 -2.061 1.00 0.00 N ATOM 579 CA LEU A 35 -12.902 1.149 -2.778 1.00 0.00 C ATOM 580 C LEU A 35 -12.221 -0.223 -2.821 1.00 0.00 C ATOM 581 O LEU A 35 -11.723 -0.648 -3.843 1.00 0.00 O ATOM 582 CB LEU A 35 -12.009 2.142 -2.029 1.00 0.00 C ATOM 583 CG LEU A 35 -11.237 2.994 -3.036 1.00 0.00 C ATOM 584 CD1 LEU A 35 -10.600 2.084 -4.086 1.00 0.00 C ATOM 585 CD2 LEU A 35 -12.197 3.969 -3.722 1.00 0.00 C ATOM 0 H LEU A 35 -14.342 1.721 -1.318 1.00 0.00 H new ATOM 0 HA LEU A 35 -13.069 1.498 -3.797 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -12.616 2.780 -1.386 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -11.314 1.606 -1.382 1.00 0.00 H new ATOM 0 HG LEU A 35 -10.459 3.555 -2.518 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -10.049 2.689 -4.806 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.917 1.388 -3.598 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -11.379 1.525 -4.604 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -11.647 4.577 -4.440 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -12.975 3.409 -4.241 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -12.654 4.617 -2.974 1.00 0.00 H new ATOM 597 N ILE A 36 -12.193 -0.917 -1.714 1.00 0.00 N ATOM 598 CA ILE A 36 -11.541 -2.258 -1.686 1.00 0.00 C ATOM 599 C ILE A 36 -12.489 -3.317 -2.251 1.00 0.00 C ATOM 600 O ILE A 36 -12.142 -4.070 -3.132 1.00 0.00 O ATOM 601 CB ILE A 36 -11.195 -2.627 -0.241 1.00 0.00 C ATOM 602 CG1 ILE A 36 -10.833 -1.349 0.539 1.00 0.00 C ATOM 603 CG2 ILE A 36 -10.024 -3.613 -0.241 1.00 0.00 C ATOM 604 CD1 ILE A 36 -9.777 -1.641 1.612 1.00 0.00 C ATOM 0 H ILE A 36 -12.594 -0.612 -0.827 1.00 0.00 H new ATOM 0 HA ILE A 36 -10.635 -2.221 -2.292 1.00 0.00 H new ATOM 0 HB ILE A 36 -12.051 -3.099 0.243 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -10.457 -0.592 -0.150 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -11.728 -0.938 1.007 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -9.773 -3.880 0.786 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -10.305 -4.511 -0.791 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -9.159 -3.151 -0.718 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -9.539 -0.722 2.148 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -10.165 -2.380 2.313 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -8.875 -2.029 1.139 1.00 0.00 H new ATOM 616 N ASN A 37 -13.680 -3.387 -1.729 1.00 0.00 N ATOM 617 CA ASN A 37 -14.657 -4.412 -2.207 1.00 0.00 C ATOM 618 C ASN A 37 -15.065 -4.156 -3.662 1.00 0.00 C ATOM 619 O ASN A 37 -15.830 -4.909 -4.234 1.00 0.00 O ATOM 620 CB ASN A 37 -15.902 -4.363 -1.320 1.00 0.00 C ATOM 621 CG ASN A 37 -16.762 -5.600 -1.581 1.00 0.00 C ATOM 622 OD1 ASN A 37 -17.680 -5.560 -2.376 1.00 0.00 O ATOM 623 ND2 ASN A 37 -16.502 -6.707 -0.941 1.00 0.00 N ATOM 0 H ASN A 37 -14.024 -2.777 -0.988 1.00 0.00 H new ATOM 0 HA ASN A 37 -14.184 -5.393 -2.152 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -15.612 -4.323 -0.270 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -16.474 -3.459 -1.527 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -17.069 -7.538 -1.108 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -15.731 -6.741 -0.274 1.00 0.00 H new ATOM 630 N ASN A 38 -14.578 -3.112 -4.271 1.00 0.00 N ATOM 631 CA ASN A 38 -14.963 -2.840 -5.684 1.00 0.00 C ATOM 632 C ASN A 38 -13.773 -3.105 -6.609 1.00 0.00 C ATOM 633 O ASN A 38 -13.857 -3.890 -7.533 1.00 0.00 O ATOM 634 CB ASN A 38 -15.402 -1.380 -5.817 1.00 0.00 C ATOM 635 CG ASN A 38 -16.146 -1.192 -7.139 1.00 0.00 C ATOM 636 OD1 ASN A 38 -17.183 -1.787 -7.357 1.00 0.00 O ATOM 637 ND2 ASN A 38 -15.658 -0.381 -8.036 1.00 0.00 N ATOM 0 H ASN A 38 -13.934 -2.439 -3.855 1.00 0.00 H new ATOM 0 HA ASN A 38 -15.786 -3.497 -5.966 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -16.046 -1.105 -4.982 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -14.533 -0.723 -5.779 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -16.147 -0.246 -8.921 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -14.788 0.118 -7.853 1.00 0.00 H new ATOM 644 N GLU A 39 -12.668 -2.452 -6.373 1.00 0.00 N ATOM 645 CA GLU A 39 -11.479 -2.665 -7.246 1.00 0.00 C ATOM 646 C GLU A 39 -10.438 -3.520 -6.515 1.00 0.00 C ATOM 647 O GLU A 39 -9.256 -3.430 -6.777 1.00 0.00 O ATOM 648 CB GLU A 39 -10.864 -1.308 -7.599 1.00 0.00 C ATOM 649 CG GLU A 39 -11.895 -0.457 -8.341 1.00 0.00 C ATOM 650 CD GLU A 39 -11.990 0.922 -7.682 1.00 0.00 C ATOM 651 OE1 GLU A 39 -12.447 0.987 -6.554 1.00 0.00 O ATOM 652 OE2 GLU A 39 -11.602 1.888 -8.318 1.00 0.00 O ATOM 0 H GLU A 39 -12.537 -1.782 -5.615 1.00 0.00 H new ATOM 0 HA GLU A 39 -11.788 -3.180 -8.155 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.540 -0.797 -6.692 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.979 -1.449 -8.219 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.610 -0.352 -9.388 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -12.868 -0.948 -8.323 1.00 0.00 H new ATOM 659 N LEU A 40 -10.866 -4.350 -5.603 1.00 0.00 N ATOM 660 CA LEU A 40 -9.892 -5.208 -4.861 1.00 0.00 C ATOM 661 C LEU A 40 -10.537 -6.548 -4.488 1.00 0.00 C ATOM 662 O LEU A 40 -9.872 -7.561 -4.403 1.00 0.00 O ATOM 663 CB LEU A 40 -9.445 -4.488 -3.589 1.00 0.00 C ATOM 664 CG LEU A 40 -8.101 -5.050 -3.137 1.00 0.00 C ATOM 665 CD1 LEU A 40 -7.034 -3.959 -3.240 1.00 0.00 C ATOM 666 CD2 LEU A 40 -8.212 -5.520 -1.686 1.00 0.00 C ATOM 0 H LEU A 40 -11.844 -4.473 -5.339 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.030 -5.397 -5.501 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.361 -3.417 -3.774 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.189 -4.618 -2.803 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.823 -5.891 -3.772 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.073 -4.359 -2.917 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.958 -3.621 -4.273 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.310 -3.119 -2.603 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.253 -5.922 -1.360 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.487 -4.678 -1.051 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.975 -6.295 -1.612 1.00 0.00 H new ATOM 678 N SER A 41 -11.822 -6.566 -4.260 1.00 0.00 N ATOM 679 CA SER A 41 -12.508 -7.838 -3.887 1.00 0.00 C ATOM 680 C SER A 41 -12.320 -8.889 -4.988 1.00 0.00 C ATOM 681 O SER A 41 -12.647 -10.046 -4.808 1.00 0.00 O ATOM 682 CB SER A 41 -13.999 -7.569 -3.698 1.00 0.00 C ATOM 683 OG SER A 41 -14.737 -8.714 -4.104 1.00 0.00 O ATOM 0 H SER A 41 -12.431 -5.749 -4.316 1.00 0.00 H new ATOM 0 HA SER A 41 -12.075 -8.215 -2.960 1.00 0.00 H new ATOM 0 HB2 SER A 41 -14.209 -7.338 -2.654 1.00 0.00 H new ATOM 0 HB3 SER A 41 -14.301 -6.701 -4.284 1.00 0.00 H new ATOM 0 HG SER A 41 -15.695 -8.546 -3.983 1.00 0.00 H new ATOM 689 N HIS A 42 -11.806 -8.509 -6.124 1.00 0.00 N ATOM 690 CA HIS A 42 -11.610 -9.503 -7.216 1.00 0.00 C ATOM 691 C HIS A 42 -10.669 -10.608 -6.729 1.00 0.00 C ATOM 692 O HIS A 42 -10.668 -11.708 -7.246 1.00 0.00 O ATOM 693 CB HIS A 42 -10.992 -8.811 -8.432 1.00 0.00 C ATOM 694 CG HIS A 42 -11.051 -9.738 -9.615 1.00 0.00 C ATOM 695 ND1 HIS A 42 -9.962 -9.948 -10.445 1.00 0.00 N ATOM 696 CD2 HIS A 42 -12.061 -10.521 -10.116 1.00 0.00 C ATOM 697 CE1 HIS A 42 -10.339 -10.828 -11.393 1.00 0.00 C ATOM 698 NE2 HIS A 42 -11.610 -11.208 -11.239 1.00 0.00 N ATOM 0 H HIS A 42 -11.514 -7.557 -6.343 1.00 0.00 H new ATOM 0 HA HIS A 42 -12.572 -9.934 -7.494 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -11.529 -7.888 -8.651 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -9.958 -8.536 -8.222 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -13.056 -10.593 -9.701 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -9.692 -11.183 -12.182 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -12.137 -11.861 -11.819 1.00 0.00 H new ATOM 706 N PHE A 43 -9.868 -10.324 -5.739 1.00 0.00 N ATOM 707 CA PHE A 43 -8.927 -11.357 -5.221 1.00 0.00 C ATOM 708 C PHE A 43 -9.548 -12.060 -4.013 1.00 0.00 C ATOM 709 O PHE A 43 -9.084 -13.095 -3.579 1.00 0.00 O ATOM 710 CB PHE A 43 -7.615 -10.689 -4.805 1.00 0.00 C ATOM 711 CG PHE A 43 -6.930 -10.124 -6.025 1.00 0.00 C ATOM 712 CD1 PHE A 43 -6.216 -10.973 -6.878 1.00 0.00 C ATOM 713 CD2 PHE A 43 -7.010 -8.754 -6.302 1.00 0.00 C ATOM 714 CE1 PHE A 43 -5.583 -10.451 -8.011 1.00 0.00 C ATOM 715 CE2 PHE A 43 -6.377 -8.233 -7.436 1.00 0.00 C ATOM 716 CZ PHE A 43 -5.663 -9.081 -8.291 1.00 0.00 C ATOM 0 H PHE A 43 -9.824 -9.421 -5.266 1.00 0.00 H new ATOM 0 HA PHE A 43 -8.730 -12.091 -6.003 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -7.811 -9.895 -4.084 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -6.966 -11.413 -4.313 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -6.154 -12.029 -6.662 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -7.560 -8.100 -5.641 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -5.032 -11.105 -8.671 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -6.439 -7.177 -7.652 1.00 0.00 H new ATOM 0 HZ PHE A 43 -5.174 -8.679 -9.166 1.00 0.00 H new ATOM 726 N LEU A 44 -10.594 -11.506 -3.464 1.00 0.00 N ATOM 727 CA LEU A 44 -11.245 -12.143 -2.285 1.00 0.00 C ATOM 728 C LEU A 44 -11.831 -13.498 -2.694 1.00 0.00 C ATOM 729 O LEU A 44 -12.518 -13.612 -3.689 1.00 0.00 O ATOM 730 CB LEU A 44 -12.366 -11.240 -1.768 1.00 0.00 C ATOM 731 CG LEU A 44 -11.876 -10.460 -0.546 1.00 0.00 C ATOM 732 CD1 LEU A 44 -11.752 -11.406 0.649 1.00 0.00 C ATOM 733 CD2 LEU A 44 -10.509 -9.842 -0.850 1.00 0.00 C ATOM 0 H LEU A 44 -11.026 -10.638 -3.782 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.504 -12.289 -1.499 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -12.680 -10.549 -2.551 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -13.237 -11.840 -1.504 1.00 0.00 H new ATOM 0 HG LEU A 44 -12.589 -9.670 -0.311 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -11.403 -10.850 1.519 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -12.725 -11.847 0.867 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -11.040 -12.197 0.414 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.159 -9.286 0.020 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.797 -10.633 -1.086 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -10.596 -9.166 -1.701 1.00 0.00 H new ATOM 745 N GLU A 45 -11.564 -14.525 -1.934 1.00 0.00 N ATOM 746 CA GLU A 45 -12.108 -15.870 -2.280 1.00 0.00 C ATOM 747 C GLU A 45 -11.658 -16.890 -1.233 1.00 0.00 C ATOM 748 O GLU A 45 -12.388 -17.796 -0.883 1.00 0.00 O ATOM 749 CB GLU A 45 -11.594 -16.289 -3.658 1.00 0.00 C ATOM 750 CG GLU A 45 -10.175 -15.754 -3.856 1.00 0.00 C ATOM 751 CD GLU A 45 -9.444 -16.618 -4.884 1.00 0.00 C ATOM 752 OE1 GLU A 45 -9.105 -17.742 -4.551 1.00 0.00 O ATOM 753 OE2 GLU A 45 -9.235 -16.141 -5.987 1.00 0.00 O ATOM 0 H GLU A 45 -10.993 -14.491 -1.089 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.197 -15.827 -2.297 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.600 -17.375 -3.746 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -12.252 -15.903 -4.436 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.209 -14.718 -4.194 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.636 -15.763 -2.909 1.00 0.00 H new ATOM 760 N GLU A 46 -10.463 -16.751 -0.729 1.00 0.00 N ATOM 761 CA GLU A 46 -9.974 -17.718 0.296 1.00 0.00 C ATOM 762 C GLU A 46 -9.618 -16.970 1.586 1.00 0.00 C ATOM 763 O GLU A 46 -9.985 -17.380 2.669 1.00 0.00 O ATOM 764 CB GLU A 46 -8.739 -18.455 -0.230 1.00 0.00 C ATOM 765 CG GLU A 46 -7.965 -17.556 -1.197 1.00 0.00 C ATOM 766 CD GLU A 46 -6.525 -18.057 -1.312 1.00 0.00 C ATOM 767 OE1 GLU A 46 -6.235 -19.100 -0.751 1.00 0.00 O ATOM 768 OE2 GLU A 46 -5.736 -17.388 -1.959 1.00 0.00 O ATOM 0 H GLU A 46 -9.805 -16.013 -0.981 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.761 -18.443 0.505 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.097 -18.746 0.602 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.041 -19.372 -0.736 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -8.443 -17.560 -2.177 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -7.976 -16.526 -0.841 1.00 0.00 H new ATOM 775 N ILE A 47 -8.910 -15.878 1.481 1.00 0.00 N ATOM 776 CA ILE A 47 -8.537 -15.108 2.703 1.00 0.00 C ATOM 777 C ILE A 47 -7.539 -15.912 3.538 1.00 0.00 C ATOM 778 O ILE A 47 -7.796 -17.037 3.921 1.00 0.00 O ATOM 779 CB ILE A 47 -9.789 -14.831 3.537 1.00 0.00 C ATOM 780 CG1 ILE A 47 -10.906 -14.319 2.625 1.00 0.00 C ATOM 781 CG2 ILE A 47 -9.471 -13.773 4.597 1.00 0.00 C ATOM 782 CD1 ILE A 47 -12.265 -14.646 3.248 1.00 0.00 C ATOM 0 H ILE A 47 -8.574 -15.485 0.602 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.081 -14.164 2.405 1.00 0.00 H new ATOM 0 HB ILE A 47 -10.111 -15.750 4.026 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -10.809 -13.243 2.483 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -10.825 -14.779 1.640 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -10.362 -13.575 5.192 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.675 -14.137 5.246 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -9.149 -12.853 4.108 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -13.060 -14.281 2.598 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -12.360 -15.725 3.367 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -12.344 -14.165 4.223 1.00 0.00 H new ATOM 794 N LYS A 48 -6.401 -15.339 3.829 1.00 0.00 N ATOM 795 CA LYS A 48 -5.388 -16.063 4.645 1.00 0.00 C ATOM 796 C LYS A 48 -5.314 -15.427 6.034 1.00 0.00 C ATOM 797 O LYS A 48 -5.223 -16.108 7.035 1.00 0.00 O ATOM 798 CB LYS A 48 -4.022 -15.965 3.966 1.00 0.00 C ATOM 799 CG LYS A 48 -3.759 -17.241 3.162 1.00 0.00 C ATOM 800 CD LYS A 48 -2.419 -17.116 2.435 1.00 0.00 C ATOM 801 CE LYS A 48 -1.916 -18.508 2.049 1.00 0.00 C ATOM 802 NZ LYS A 48 -0.428 -18.527 2.099 1.00 0.00 N ATOM 0 H LYS A 48 -6.131 -14.400 3.536 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.672 -17.111 4.736 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.992 -15.096 3.309 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -3.241 -15.826 4.714 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -3.746 -18.106 3.825 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.562 -17.403 2.443 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.533 -16.499 1.544 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.691 -16.619 3.076 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.323 -19.256 2.730 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -2.261 -18.767 1.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.084 -19.473 1.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -0.049 -17.824 1.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.110 -18.298 3.062 1.00 0.00 H new ATOM 816 N GLU A 49 -5.359 -14.124 6.101 1.00 0.00 N ATOM 817 CA GLU A 49 -5.296 -13.441 7.422 1.00 0.00 C ATOM 818 C GLU A 49 -6.710 -13.045 7.850 1.00 0.00 C ATOM 819 O GLU A 49 -7.168 -11.953 7.581 1.00 0.00 O ATOM 820 CB GLU A 49 -4.428 -12.185 7.314 1.00 0.00 C ATOM 821 CG GLU A 49 -3.145 -12.381 8.123 1.00 0.00 C ATOM 822 CD GLU A 49 -3.499 -12.709 9.574 1.00 0.00 C ATOM 823 OE1 GLU A 49 -4.574 -12.320 10.002 1.00 0.00 O ATOM 824 OE2 GLU A 49 -2.692 -13.343 10.232 1.00 0.00 O ATOM 0 H GLU A 49 -5.437 -13.503 5.296 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.861 -14.116 8.159 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.186 -11.986 6.270 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.976 -11.319 7.685 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.551 -13.187 7.692 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.536 -11.478 8.082 1.00 0.00 H new ATOM 831 N GLN A 50 -7.408 -13.928 8.508 1.00 0.00 N ATOM 832 CA GLN A 50 -8.794 -13.608 8.946 1.00 0.00 C ATOM 833 C GLN A 50 -8.776 -12.392 9.876 1.00 0.00 C ATOM 834 O GLN A 50 -9.760 -11.694 10.014 1.00 0.00 O ATOM 835 CB GLN A 50 -9.383 -14.810 9.689 1.00 0.00 C ATOM 836 CG GLN A 50 -10.839 -14.522 10.060 1.00 0.00 C ATOM 837 CD GLN A 50 -11.763 -15.093 8.983 1.00 0.00 C ATOM 838 OE1 GLN A 50 -11.353 -15.294 7.858 1.00 0.00 O ATOM 839 NE2 GLN A 50 -13.004 -15.366 9.283 1.00 0.00 N ATOM 0 H GLN A 50 -7.077 -14.859 8.762 1.00 0.00 H new ATOM 0 HA GLN A 50 -9.405 -13.383 8.072 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -9.326 -15.701 9.063 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.802 -15.015 10.588 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -11.073 -14.966 11.028 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -10.995 -13.448 10.156 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -13.349 -15.197 10.228 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -13.628 -15.748 8.572 1.00 0.00 H new ATOM 848 N GLU A 51 -7.670 -12.132 10.517 1.00 0.00 N ATOM 849 CA GLU A 51 -7.603 -10.961 11.439 1.00 0.00 C ATOM 850 C GLU A 51 -7.383 -9.677 10.637 1.00 0.00 C ATOM 851 O GLU A 51 -7.889 -8.628 10.981 1.00 0.00 O ATOM 852 CB GLU A 51 -6.446 -11.149 12.423 1.00 0.00 C ATOM 853 CG GLU A 51 -6.807 -12.239 13.434 1.00 0.00 C ATOM 854 CD GLU A 51 -5.528 -12.822 14.034 1.00 0.00 C ATOM 855 OE1 GLU A 51 -4.701 -12.046 14.487 1.00 0.00 O ATOM 856 OE2 GLU A 51 -5.395 -14.035 14.032 1.00 0.00 O ATOM 0 H GLU A 51 -6.811 -12.678 10.443 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.542 -10.886 11.987 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -5.538 -11.423 11.885 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.239 -10.212 12.941 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -7.435 -11.825 14.223 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.384 -13.025 12.947 1.00 0.00 H new ATOM 863 N VAL A 52 -6.632 -9.747 9.574 1.00 0.00 N ATOM 864 CA VAL A 52 -6.385 -8.525 8.760 1.00 0.00 C ATOM 865 C VAL A 52 -7.680 -8.101 8.070 1.00 0.00 C ATOM 866 O VAL A 52 -8.112 -6.970 8.182 1.00 0.00 O ATOM 867 CB VAL A 52 -5.325 -8.823 7.701 1.00 0.00 C ATOM 868 CG1 VAL A 52 -5.187 -7.625 6.761 1.00 0.00 C ATOM 869 CG2 VAL A 52 -3.984 -9.088 8.383 1.00 0.00 C ATOM 0 H VAL A 52 -6.179 -10.596 9.234 1.00 0.00 H new ATOM 0 HA VAL A 52 -6.037 -7.722 9.410 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.624 -9.701 7.129 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.430 -7.840 6.006 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.142 -7.434 6.273 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.890 -6.746 7.333 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.227 -9.301 7.628 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.688 -8.210 8.956 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.079 -9.943 9.052 1.00 0.00 H new ATOM 879 N VAL A 53 -8.303 -8.996 7.352 1.00 0.00 N ATOM 880 CA VAL A 53 -9.567 -8.635 6.655 1.00 0.00 C ATOM 881 C VAL A 53 -10.677 -8.426 7.684 1.00 0.00 C ATOM 882 O VAL A 53 -11.577 -7.637 7.485 1.00 0.00 O ATOM 883 CB VAL A 53 -9.964 -9.759 5.694 1.00 0.00 C ATOM 884 CG1 VAL A 53 -11.393 -9.528 5.199 1.00 0.00 C ATOM 885 CG2 VAL A 53 -9.009 -9.768 4.499 1.00 0.00 C ATOM 0 H VAL A 53 -7.991 -9.958 7.219 1.00 0.00 H new ATOM 0 HA VAL A 53 -9.418 -7.714 6.091 1.00 0.00 H new ATOM 0 HB VAL A 53 -9.909 -10.716 6.213 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -11.675 -10.328 4.515 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -12.076 -9.520 6.049 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -11.448 -8.571 4.680 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -9.291 -10.568 3.814 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -9.065 -8.810 3.981 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -7.990 -9.932 4.849 1.00 0.00 H new ATOM 895 N ASP A 54 -10.620 -9.121 8.784 1.00 0.00 N ATOM 896 CA ASP A 54 -11.672 -8.949 9.821 1.00 0.00 C ATOM 897 C ASP A 54 -11.413 -7.649 10.580 1.00 0.00 C ATOM 898 O ASP A 54 -12.301 -7.082 11.182 1.00 0.00 O ATOM 899 CB ASP A 54 -11.633 -10.128 10.795 1.00 0.00 C ATOM 900 CG ASP A 54 -12.659 -9.908 11.907 1.00 0.00 C ATOM 901 OD1 ASP A 54 -13.727 -9.402 11.607 1.00 0.00 O ATOM 902 OD2 ASP A 54 -12.358 -10.247 13.038 1.00 0.00 O ATOM 0 H ASP A 54 -9.892 -9.799 9.009 1.00 0.00 H new ATOM 0 HA ASP A 54 -12.653 -8.911 9.347 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -11.848 -11.057 10.266 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -10.635 -10.228 11.222 1.00 0.00 H new ATOM 907 N LYS A 55 -10.197 -7.170 10.556 1.00 0.00 N ATOM 908 CA LYS A 55 -9.878 -5.905 11.274 1.00 0.00 C ATOM 909 C LYS A 55 -10.304 -4.710 10.422 1.00 0.00 C ATOM 910 O LYS A 55 -10.979 -3.815 10.887 1.00 0.00 O ATOM 911 CB LYS A 55 -8.374 -5.831 11.542 1.00 0.00 C ATOM 912 CG LYS A 55 -8.095 -6.194 13.001 1.00 0.00 C ATOM 913 CD LYS A 55 -6.647 -6.667 13.141 1.00 0.00 C ATOM 914 CE LYS A 55 -5.886 -5.716 14.068 1.00 0.00 C ATOM 915 NZ LYS A 55 -4.460 -6.142 14.152 1.00 0.00 N ATOM 0 H LYS A 55 -9.412 -7.602 10.069 1.00 0.00 H new ATOM 0 HA LYS A 55 -10.416 -5.884 12.222 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -7.842 -6.513 10.879 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.005 -4.828 11.329 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.270 -5.330 13.642 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.778 -6.978 13.329 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.622 -7.680 13.542 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.168 -6.699 12.163 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.950 -4.695 13.692 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.337 -5.719 15.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -3.941 -5.497 14.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.408 -7.110 14.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -4.034 -6.117 13.204 1.00 0.00 H new ATOM 929 N VAL A 56 -9.917 -4.684 9.175 1.00 0.00 N ATOM 930 CA VAL A 56 -10.307 -3.546 8.305 1.00 0.00 C ATOM 931 C VAL A 56 -11.806 -3.619 8.037 1.00 0.00 C ATOM 932 O VAL A 56 -12.516 -2.641 8.147 1.00 0.00 O ATOM 933 CB VAL A 56 -9.541 -3.638 6.987 1.00 0.00 C ATOM 934 CG1 VAL A 56 -8.042 -3.512 7.258 1.00 0.00 C ATOM 935 CG2 VAL A 56 -9.824 -4.987 6.320 1.00 0.00 C ATOM 0 H VAL A 56 -9.349 -5.402 8.725 1.00 0.00 H new ATOM 0 HA VAL A 56 -10.070 -2.601 8.794 1.00 0.00 H new ATOM 0 HB VAL A 56 -9.862 -2.832 6.327 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -7.495 -3.578 6.317 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.837 -2.551 7.730 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -7.723 -4.317 7.920 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -9.276 -5.050 5.380 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -9.505 -5.793 6.980 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -10.892 -5.079 6.124 1.00 0.00 H new ATOM 945 N MET A 57 -12.292 -4.777 7.699 1.00 0.00 N ATOM 946 CA MET A 57 -13.746 -4.933 7.439 1.00 0.00 C ATOM 947 C MET A 57 -14.509 -4.637 8.728 1.00 0.00 C ATOM 948 O MET A 57 -15.665 -4.273 8.707 1.00 0.00 O ATOM 949 CB MET A 57 -14.026 -6.371 7.004 1.00 0.00 C ATOM 950 CG MET A 57 -15.457 -6.482 6.479 1.00 0.00 C ATOM 951 SD MET A 57 -15.681 -5.343 5.090 1.00 0.00 S ATOM 952 CE MET A 57 -14.126 -5.708 4.240 1.00 0.00 C ATOM 0 H MET A 57 -11.740 -5.628 7.591 1.00 0.00 H new ATOM 0 HA MET A 57 -14.062 -4.247 6.654 1.00 0.00 H new ATOM 0 HB2 MET A 57 -13.320 -6.671 6.229 1.00 0.00 H new ATOM 0 HB3 MET A 57 -13.883 -7.050 7.845 1.00 0.00 H new ATOM 0 HG2 MET A 57 -15.661 -7.505 6.161 1.00 0.00 H new ATOM 0 HG3 MET A 57 -16.166 -6.248 7.273 1.00 0.00 H new ATOM 0 HE1 MET A 57 -14.187 -5.366 3.207 1.00 0.00 H new ATOM 0 HE2 MET A 57 -13.307 -5.195 4.744 1.00 0.00 H new ATOM 0 HE3 MET A 57 -13.946 -6.783 4.256 1.00 0.00 H new ATOM 962 N GLU A 58 -13.865 -4.792 9.852 1.00 0.00 N ATOM 963 CA GLU A 58 -14.554 -4.517 11.146 1.00 0.00 C ATOM 964 C GLU A 58 -14.692 -3.005 11.334 1.00 0.00 C ATOM 965 O GLU A 58 -15.781 -2.491 11.489 1.00 0.00 O ATOM 966 CB GLU A 58 -13.735 -5.098 12.301 1.00 0.00 C ATOM 967 CG GLU A 58 -14.296 -6.469 12.691 1.00 0.00 C ATOM 968 CD GLU A 58 -13.424 -7.084 13.787 1.00 0.00 C ATOM 969 OE1 GLU A 58 -12.306 -7.465 13.482 1.00 0.00 O ATOM 970 OE2 GLU A 58 -13.888 -7.163 14.911 1.00 0.00 O ATOM 0 H GLU A 58 -12.895 -5.096 9.931 1.00 0.00 H new ATOM 0 HA GLU A 58 -15.541 -4.979 11.135 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -12.689 -5.192 12.007 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -13.766 -4.424 13.157 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -15.323 -6.367 13.043 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -14.321 -7.125 11.821 1.00 0.00 H new ATOM 977 N THR A 59 -13.602 -2.287 11.314 1.00 0.00 N ATOM 978 CA THR A 59 -13.688 -0.809 11.482 1.00 0.00 C ATOM 979 C THR A 59 -14.530 -0.243 10.344 1.00 0.00 C ATOM 980 O THR A 59 -15.115 0.817 10.448 1.00 0.00 O ATOM 981 CB THR A 59 -12.284 -0.204 11.432 1.00 0.00 C ATOM 982 OG1 THR A 59 -11.323 -1.222 11.673 1.00 0.00 O ATOM 983 CG2 THR A 59 -12.157 0.885 12.498 1.00 0.00 C ATOM 0 H THR A 59 -12.660 -2.658 11.189 1.00 0.00 H new ATOM 0 HA THR A 59 -14.144 -0.567 12.442 1.00 0.00 H new ATOM 0 HB THR A 59 -12.111 0.233 10.449 1.00 0.00 H new ATOM 0 HG1 THR A 59 -10.423 -0.836 11.640 1.00 0.00 H new ATOM 0 HG21 THR A 59 -11.156 1.315 12.461 1.00 0.00 H new ATOM 0 HG22 THR A 59 -12.895 1.665 12.311 1.00 0.00 H new ATOM 0 HG23 THR A 59 -12.330 0.452 13.483 1.00 0.00 H new ATOM 991 N LEU A 60 -14.591 -0.956 9.256 1.00 0.00 N ATOM 992 CA LEU A 60 -15.389 -0.495 8.090 1.00 0.00 C ATOM 993 C LEU A 60 -16.879 -0.587 8.421 1.00 0.00 C ATOM 994 O LEU A 60 -17.616 0.369 8.293 1.00 0.00 O ATOM 995 CB LEU A 60 -15.076 -1.404 6.899 1.00 0.00 C ATOM 996 CG LEU A 60 -13.935 -0.798 6.085 1.00 0.00 C ATOM 997 CD1 LEU A 60 -13.567 -1.747 4.943 1.00 0.00 C ATOM 998 CD2 LEU A 60 -14.378 0.548 5.509 1.00 0.00 C ATOM 0 H LEU A 60 -14.116 -1.849 9.124 1.00 0.00 H new ATOM 0 HA LEU A 60 -15.139 0.539 7.851 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -14.799 -2.398 7.249 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -15.961 -1.521 6.274 1.00 0.00 H new ATOM 0 HG LEU A 60 -13.067 -0.648 6.728 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.753 -1.317 4.360 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -13.252 -2.706 5.354 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.434 -1.896 4.300 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -13.564 0.981 4.928 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -15.245 0.401 4.865 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -14.642 1.223 6.323 1.00 0.00 H new ATOM 1010 N ASP A 61 -17.323 -1.738 8.844 1.00 0.00 N ATOM 1011 CA ASP A 61 -18.763 -1.912 9.183 1.00 0.00 C ATOM 1012 C ASP A 61 -19.064 -1.250 10.529 1.00 0.00 C ATOM 1013 O ASP A 61 -20.205 -1.110 10.918 1.00 0.00 O ATOM 1014 CB ASP A 61 -19.080 -3.408 9.271 1.00 0.00 C ATOM 1015 CG ASP A 61 -20.440 -3.682 8.628 1.00 0.00 C ATOM 1016 OD1 ASP A 61 -21.345 -2.896 8.849 1.00 0.00 O ATOM 1017 OD2 ASP A 61 -20.553 -4.675 7.926 1.00 0.00 O ATOM 0 H ASP A 61 -16.747 -2.570 8.970 1.00 0.00 H new ATOM 0 HA ASP A 61 -19.376 -1.447 8.411 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -18.305 -3.985 8.766 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -19.088 -3.728 10.313 1.00 0.00 H new ATOM 1022 N GLU A 62 -18.052 -0.845 11.247 1.00 0.00 N ATOM 1023 CA GLU A 62 -18.289 -0.198 12.569 1.00 0.00 C ATOM 1024 C GLU A 62 -18.843 1.212 12.365 1.00 0.00 C ATOM 1025 O GLU A 62 -19.863 1.574 12.915 1.00 0.00 O ATOM 1026 CB GLU A 62 -16.972 -0.122 13.344 1.00 0.00 C ATOM 1027 CG GLU A 62 -17.184 -0.645 14.765 1.00 0.00 C ATOM 1028 CD GLU A 62 -17.427 0.532 15.712 1.00 0.00 C ATOM 1029 OE1 GLU A 62 -16.455 1.108 16.172 1.00 0.00 O ATOM 1030 OE2 GLU A 62 -18.581 0.836 15.961 1.00 0.00 O ATOM 0 H GLU A 62 -17.073 -0.934 10.976 1.00 0.00 H new ATOM 0 HA GLU A 62 -19.011 -0.789 13.133 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -16.206 -0.711 12.839 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -16.614 0.907 13.374 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -18.034 -1.327 14.790 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -16.311 -1.212 15.089 1.00 0.00 H new ATOM 1037 N ASP A 63 -18.176 2.011 11.583 1.00 0.00 N ATOM 1038 CA ASP A 63 -18.660 3.401 11.349 1.00 0.00 C ATOM 1039 C ASP A 63 -18.471 3.768 9.876 1.00 0.00 C ATOM 1040 O ASP A 63 -17.854 4.764 9.552 1.00 0.00 O ATOM 1041 CB ASP A 63 -17.860 4.373 12.220 1.00 0.00 C ATOM 1042 CG ASP A 63 -18.738 5.566 12.597 1.00 0.00 C ATOM 1043 OD1 ASP A 63 -19.764 5.347 13.219 1.00 0.00 O ATOM 1044 OD2 ASP A 63 -18.371 6.679 12.259 1.00 0.00 O ATOM 0 H ASP A 63 -17.316 1.763 11.095 1.00 0.00 H new ATOM 0 HA ASP A 63 -19.717 3.464 11.607 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -17.510 3.867 13.120 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -16.976 4.715 11.683 1.00 0.00 H new ATOM 1049 N GLY A 64 -18.998 2.972 8.983 1.00 0.00 N ATOM 1050 CA GLY A 64 -18.851 3.271 7.528 1.00 0.00 C ATOM 1051 C GLY A 64 -19.012 4.773 7.283 1.00 0.00 C ATOM 1052 O GLY A 64 -18.464 5.321 6.347 1.00 0.00 O ATOM 0 H GLY A 64 -19.525 2.126 9.199 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -17.874 2.940 7.177 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -19.598 2.719 6.958 1.00 0.00 H new ATOM 1056 N ASP A 65 -19.757 5.446 8.117 1.00 0.00 N ATOM 1057 CA ASP A 65 -19.947 6.912 7.931 1.00 0.00 C ATOM 1058 C ASP A 65 -18.850 7.668 8.685 1.00 0.00 C ATOM 1059 O ASP A 65 -19.093 8.690 9.296 1.00 0.00 O ATOM 1060 CB ASP A 65 -21.316 7.320 8.480 1.00 0.00 C ATOM 1061 CG ASP A 65 -21.625 8.761 8.066 1.00 0.00 C ATOM 1062 OD1 ASP A 65 -22.015 8.959 6.928 1.00 0.00 O ATOM 1063 OD2 ASP A 65 -21.467 9.642 8.895 1.00 0.00 O ATOM 0 H ASP A 65 -20.242 5.044 8.919 1.00 0.00 H new ATOM 0 HA ASP A 65 -19.892 7.155 6.870 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -22.086 6.649 8.101 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -21.324 7.233 9.566 1.00 0.00 H new ATOM 1068 N GLY A 66 -17.643 7.172 8.649 1.00 0.00 N ATOM 1069 CA GLY A 66 -16.534 7.859 9.364 1.00 0.00 C ATOM 1070 C GLY A 66 -15.578 8.490 8.350 1.00 0.00 C ATOM 1071 O GLY A 66 -15.855 8.534 7.168 1.00 0.00 O ATOM 0 H GLY A 66 -17.379 6.320 8.154 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -16.936 8.626 10.026 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -15.997 7.147 9.991 1.00 0.00 H new ATOM 1075 N GLU A 67 -14.456 8.978 8.802 1.00 0.00 N ATOM 1076 CA GLU A 67 -13.486 9.606 7.863 1.00 0.00 C ATOM 1077 C GLU A 67 -12.124 8.922 7.999 1.00 0.00 C ATOM 1078 O GLU A 67 -11.666 8.644 9.089 1.00 0.00 O ATOM 1079 CB GLU A 67 -13.344 11.094 8.195 1.00 0.00 C ATOM 1080 CG GLU A 67 -12.868 11.255 9.640 1.00 0.00 C ATOM 1081 CD GLU A 67 -12.409 12.697 9.870 1.00 0.00 C ATOM 1082 OE1 GLU A 67 -11.249 12.976 9.615 1.00 0.00 O ATOM 1083 OE2 GLU A 67 -13.224 13.497 10.296 1.00 0.00 O ATOM 0 H GLU A 67 -14.169 8.969 9.781 1.00 0.00 H new ATOM 0 HA GLU A 67 -13.848 9.494 6.841 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -12.634 11.563 7.513 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -14.300 11.600 8.058 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -13.674 11.005 10.329 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -12.049 10.565 9.843 1.00 0.00 H new ATOM 1090 N CYS A 68 -11.474 8.651 6.901 1.00 0.00 N ATOM 1091 CA CYS A 68 -10.143 7.989 6.969 1.00 0.00 C ATOM 1092 C CYS A 68 -9.058 9.005 6.605 1.00 0.00 C ATOM 1093 O CYS A 68 -9.345 10.110 6.192 1.00 0.00 O ATOM 1094 CB CYS A 68 -10.103 6.817 5.985 1.00 0.00 C ATOM 1095 SG CYS A 68 -11.269 5.540 6.520 1.00 0.00 S ATOM 0 H CYS A 68 -11.808 8.860 5.960 1.00 0.00 H new ATOM 0 HA CYS A 68 -9.969 7.615 7.978 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -10.358 7.161 4.983 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -9.095 6.406 5.934 1.00 0.00 H new ATOM 0 HG CYS A 68 -11.237 4.545 5.683 1.00 0.00 H new ATOM 1101 N ASP A 69 -7.815 8.643 6.757 1.00 0.00 N ATOM 1102 CA ASP A 69 -6.719 9.595 6.421 1.00 0.00 C ATOM 1103 C ASP A 69 -5.973 9.098 5.183 1.00 0.00 C ATOM 1104 O ASP A 69 -6.349 8.118 4.570 1.00 0.00 O ATOM 1105 CB ASP A 69 -5.748 9.692 7.600 1.00 0.00 C ATOM 1106 CG ASP A 69 -6.535 9.917 8.892 1.00 0.00 C ATOM 1107 OD1 ASP A 69 -7.023 11.019 9.081 1.00 0.00 O ATOM 1108 OD2 ASP A 69 -6.635 8.983 9.671 1.00 0.00 O ATOM 0 H ASP A 69 -7.511 7.731 7.099 1.00 0.00 H new ATOM 0 HA ASP A 69 -7.142 10.579 6.218 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -5.158 8.778 7.675 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -5.047 10.512 7.441 1.00 0.00 H new ATOM 1113 N PHE A 70 -4.921 9.771 4.807 1.00 0.00 N ATOM 1114 CA PHE A 70 -4.154 9.339 3.606 1.00 0.00 C ATOM 1115 C PHE A 70 -3.286 8.131 3.960 1.00 0.00 C ATOM 1116 O PHE A 70 -3.150 7.205 3.185 1.00 0.00 O ATOM 1117 CB PHE A 70 -3.265 10.487 3.123 1.00 0.00 C ATOM 1118 CG PHE A 70 -2.617 11.165 4.308 1.00 0.00 C ATOM 1119 CD1 PHE A 70 -1.467 10.617 4.886 1.00 0.00 C ATOM 1120 CD2 PHE A 70 -3.167 12.344 4.825 1.00 0.00 C ATOM 1121 CE1 PHE A 70 -0.867 11.248 5.982 1.00 0.00 C ATOM 1122 CE2 PHE A 70 -2.565 12.975 5.921 1.00 0.00 C ATOM 1123 CZ PHE A 70 -1.415 12.428 6.499 1.00 0.00 C ATOM 0 H PHE A 70 -4.560 10.600 5.279 1.00 0.00 H new ATOM 0 HA PHE A 70 -4.849 9.064 2.813 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -2.500 10.107 2.446 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -3.859 11.207 2.560 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -1.042 9.708 4.487 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -4.055 12.767 4.379 1.00 0.00 H new ATOM 0 HE1 PHE A 70 0.020 10.824 6.429 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -2.989 13.885 6.320 1.00 0.00 H new ATOM 0 HZ PHE A 70 -0.950 12.915 7.343 1.00 0.00 H new ATOM 1133 N GLN A 71 -2.692 8.131 5.122 1.00 0.00 N ATOM 1134 CA GLN A 71 -1.834 6.980 5.514 1.00 0.00 C ATOM 1135 C GLN A 71 -2.716 5.828 6.004 1.00 0.00 C ATOM 1136 O GLN A 71 -2.346 4.675 5.925 1.00 0.00 O ATOM 1137 CB GLN A 71 -0.856 7.421 6.615 1.00 0.00 C ATOM 1138 CG GLN A 71 -1.514 7.311 7.995 1.00 0.00 C ATOM 1139 CD GLN A 71 -0.997 6.058 8.706 1.00 0.00 C ATOM 1140 OE1 GLN A 71 -0.977 6.001 9.920 1.00 0.00 O ATOM 1141 NE2 GLN A 71 -0.576 5.045 7.998 1.00 0.00 N ATOM 0 H GLN A 71 -2.764 8.877 5.814 1.00 0.00 H new ATOM 0 HA GLN A 71 -1.259 6.637 4.654 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.040 6.801 6.583 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -0.539 8.449 6.438 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.291 8.198 8.588 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -2.598 7.262 7.891 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.593 5.093 6.979 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -0.230 4.206 8.464 1.00 0.00 H new ATOM 1150 N GLU A 72 -3.880 6.132 6.506 1.00 0.00 N ATOM 1151 CA GLU A 72 -4.783 5.053 6.990 1.00 0.00 C ATOM 1152 C GLU A 72 -5.435 4.370 5.791 1.00 0.00 C ATOM 1153 O GLU A 72 -5.348 3.171 5.627 1.00 0.00 O ATOM 1154 CB GLU A 72 -5.865 5.661 7.884 1.00 0.00 C ATOM 1155 CG GLU A 72 -5.373 5.696 9.331 1.00 0.00 C ATOM 1156 CD GLU A 72 -6.484 5.203 10.259 1.00 0.00 C ATOM 1157 OE1 GLU A 72 -6.806 4.028 10.194 1.00 0.00 O ATOM 1158 OE2 GLU A 72 -6.994 6.010 11.019 1.00 0.00 O ATOM 0 H GLU A 72 -4.244 7.080 6.602 1.00 0.00 H new ATOM 0 HA GLU A 72 -4.211 4.321 7.561 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.106 6.669 7.547 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -6.781 5.074 7.815 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.488 5.069 9.441 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.081 6.710 9.603 1.00 0.00 H new ATOM 1165 N PHE A 73 -6.079 5.122 4.943 1.00 0.00 N ATOM 1166 CA PHE A 73 -6.718 4.507 3.748 1.00 0.00 C ATOM 1167 C PHE A 73 -5.636 3.788 2.940 1.00 0.00 C ATOM 1168 O PHE A 73 -5.917 2.941 2.115 1.00 0.00 O ATOM 1169 CB PHE A 73 -7.373 5.606 2.901 1.00 0.00 C ATOM 1170 CG PHE A 73 -7.590 5.116 1.487 1.00 0.00 C ATOM 1171 CD1 PHE A 73 -8.739 4.382 1.164 1.00 0.00 C ATOM 1172 CD2 PHE A 73 -6.640 5.398 0.500 1.00 0.00 C ATOM 1173 CE1 PHE A 73 -8.936 3.932 -0.148 1.00 0.00 C ATOM 1174 CE2 PHE A 73 -6.838 4.948 -0.810 1.00 0.00 C ATOM 1175 CZ PHE A 73 -7.985 4.215 -1.135 1.00 0.00 C ATOM 0 H PHE A 73 -6.190 6.133 5.026 1.00 0.00 H new ATOM 0 HA PHE A 73 -7.486 3.794 4.048 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -8.326 5.897 3.343 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -6.741 6.494 2.893 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -9.472 4.163 1.926 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -5.754 5.963 0.749 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -9.822 3.367 -0.398 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -6.104 5.167 -1.572 1.00 0.00 H new ATOM 0 HZ PHE A 73 -8.136 3.868 -2.147 1.00 0.00 H new ATOM 1185 N MET A 74 -4.397 4.118 3.184 1.00 0.00 N ATOM 1186 CA MET A 74 -3.288 3.458 2.446 1.00 0.00 C ATOM 1187 C MET A 74 -3.010 2.102 3.065 1.00 0.00 C ATOM 1188 O MET A 74 -3.168 1.073 2.441 1.00 0.00 O ATOM 1189 CB MET A 74 -2.024 4.315 2.564 1.00 0.00 C ATOM 1190 CG MET A 74 -1.329 4.419 1.205 1.00 0.00 C ATOM 1191 SD MET A 74 -2.231 5.575 0.149 1.00 0.00 S ATOM 1192 CE MET A 74 -3.352 4.359 -0.580 1.00 0.00 C ATOM 0 H MET A 74 -4.106 4.819 3.866 1.00 0.00 H new ATOM 0 HA MET A 74 -3.568 3.342 1.399 1.00 0.00 H new ATOM 0 HB2 MET A 74 -2.283 5.310 2.926 1.00 0.00 H new ATOM 0 HB3 MET A 74 -1.345 3.877 3.295 1.00 0.00 H new ATOM 0 HG2 MET A 74 -0.301 4.757 1.336 1.00 0.00 H new ATOM 0 HG3 MET A 74 -1.284 3.438 0.732 1.00 0.00 H new ATOM 0 HE1 MET A 74 -3.624 4.673 -1.588 1.00 0.00 H new ATOM 0 HE2 MET A 74 -2.858 3.389 -0.624 1.00 0.00 H new ATOM 0 HE3 MET A 74 -4.251 4.281 0.031 1.00 0.00 H new ATOM 1202 N ALA A 75 -2.586 2.097 4.289 1.00 0.00 N ATOM 1203 CA ALA A 75 -2.286 0.806 4.950 1.00 0.00 C ATOM 1204 C ALA A 75 -3.563 -0.030 5.035 1.00 0.00 C ATOM 1205 O ALA A 75 -3.530 -1.212 5.313 1.00 0.00 O ATOM 1206 CB ALA A 75 -1.737 1.065 6.353 1.00 0.00 C ATOM 0 H ALA A 75 -2.434 2.928 4.860 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.540 0.263 4.370 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.517 0.114 6.839 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.824 1.657 6.283 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.478 1.609 6.939 1.00 0.00 H new ATOM 1212 N PHE A 76 -4.690 0.576 4.788 1.00 0.00 N ATOM 1213 CA PHE A 76 -5.973 -0.174 4.842 1.00 0.00 C ATOM 1214 C PHE A 76 -6.135 -0.971 3.547 1.00 0.00 C ATOM 1215 O PHE A 76 -6.498 -2.132 3.555 1.00 0.00 O ATOM 1216 CB PHE A 76 -7.129 0.819 4.972 1.00 0.00 C ATOM 1217 CG PHE A 76 -7.619 0.849 6.399 1.00 0.00 C ATOM 1218 CD1 PHE A 76 -7.804 -0.346 7.104 1.00 0.00 C ATOM 1219 CD2 PHE A 76 -7.890 2.076 7.016 1.00 0.00 C ATOM 1220 CE1 PHE A 76 -8.263 -0.313 8.427 1.00 0.00 C ATOM 1221 CE2 PHE A 76 -8.348 2.109 8.337 1.00 0.00 C ATOM 1222 CZ PHE A 76 -8.533 0.915 9.043 1.00 0.00 C ATOM 0 H PHE A 76 -4.777 1.564 4.550 1.00 0.00 H new ATOM 0 HA PHE A 76 -5.974 -0.851 5.696 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -6.802 1.814 4.669 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -7.942 0.534 4.305 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -7.593 -1.292 6.628 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -7.745 2.998 6.472 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -8.409 -1.234 8.972 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -8.559 3.056 8.812 1.00 0.00 H new ATOM 0 HZ PHE A 76 -8.884 0.941 10.064 1.00 0.00 H new ATOM 1232 N VAL A 77 -5.860 -0.350 2.434 1.00 0.00 N ATOM 1233 CA VAL A 77 -5.988 -1.053 1.129 1.00 0.00 C ATOM 1234 C VAL A 77 -4.883 -2.105 1.009 1.00 0.00 C ATOM 1235 O VAL A 77 -5.034 -3.102 0.334 1.00 0.00 O ATOM 1236 CB VAL A 77 -5.854 -0.028 0.000 1.00 0.00 C ATOM 1237 CG1 VAL A 77 -5.833 -0.745 -1.352 1.00 0.00 C ATOM 1238 CG2 VAL A 77 -7.046 0.932 0.045 1.00 0.00 C ATOM 0 H VAL A 77 -5.550 0.620 2.373 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.958 -1.546 1.063 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.926 0.529 0.127 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.738 -0.011 -2.152 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.987 -1.431 -1.387 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.760 -1.304 -1.482 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -6.954 1.664 -0.758 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.971 0.369 -0.081 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.062 1.447 1.005 1.00 0.00 H new ATOM 1248 N SER A 78 -3.774 -1.887 1.661 1.00 0.00 N ATOM 1249 CA SER A 78 -2.656 -2.872 1.584 1.00 0.00 C ATOM 1250 C SER A 78 -2.942 -4.060 2.505 1.00 0.00 C ATOM 1251 O SER A 78 -2.874 -5.202 2.099 1.00 0.00 O ATOM 1252 CB SER A 78 -1.357 -2.194 2.017 1.00 0.00 C ATOM 1253 OG SER A 78 -1.119 -1.064 1.187 1.00 0.00 O ATOM 0 H SER A 78 -3.593 -1.070 2.244 1.00 0.00 H new ATOM 0 HA SER A 78 -2.562 -3.230 0.559 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.424 -1.886 3.060 1.00 0.00 H new ATOM 0 HB3 SER A 78 -0.525 -2.895 1.944 1.00 0.00 H new ATOM 0 HG SER A 78 -1.707 -0.329 1.459 1.00 0.00 H new ATOM 1259 N MET A 79 -3.254 -3.801 3.746 1.00 0.00 N ATOM 1260 CA MET A 79 -3.537 -4.908 4.694 1.00 0.00 C ATOM 1261 C MET A 79 -4.474 -5.930 4.044 1.00 0.00 C ATOM 1262 O MET A 79 -4.331 -7.121 4.228 1.00 0.00 O ATOM 1263 CB MET A 79 -4.202 -4.333 5.942 1.00 0.00 C ATOM 1264 CG MET A 79 -3.180 -3.533 6.753 1.00 0.00 C ATOM 1265 SD MET A 79 -2.881 -4.364 8.332 1.00 0.00 S ATOM 1266 CE MET A 79 -3.997 -3.351 9.334 1.00 0.00 C ATOM 0 H MET A 79 -3.325 -2.864 4.143 1.00 0.00 H new ATOM 0 HA MET A 79 -2.604 -5.403 4.961 1.00 0.00 H new ATOM 0 HB2 MET A 79 -5.036 -3.692 5.658 1.00 0.00 H new ATOM 0 HB3 MET A 79 -4.612 -5.139 6.551 1.00 0.00 H new ATOM 0 HG2 MET A 79 -2.248 -3.442 6.195 1.00 0.00 H new ATOM 0 HG3 MET A 79 -3.548 -2.522 6.926 1.00 0.00 H new ATOM 0 HE1 MET A 79 -3.971 -3.695 10.368 1.00 0.00 H new ATOM 0 HE2 MET A 79 -3.681 -2.309 9.290 1.00 0.00 H new ATOM 0 HE3 MET A 79 -5.013 -3.438 8.948 1.00 0.00 H new ATOM 1276 N VAL A 80 -5.442 -5.473 3.297 1.00 0.00 N ATOM 1277 CA VAL A 80 -6.394 -6.418 2.653 1.00 0.00 C ATOM 1278 C VAL A 80 -5.744 -7.081 1.434 1.00 0.00 C ATOM 1279 O VAL A 80 -5.798 -8.284 1.270 1.00 0.00 O ATOM 1280 CB VAL A 80 -7.639 -5.652 2.212 1.00 0.00 C ATOM 1281 CG1 VAL A 80 -8.328 -5.052 3.440 1.00 0.00 C ATOM 1282 CG2 VAL A 80 -7.244 -4.534 1.244 1.00 0.00 C ATOM 0 H VAL A 80 -5.614 -4.486 3.106 1.00 0.00 H new ATOM 0 HA VAL A 80 -6.667 -7.192 3.370 1.00 0.00 H new ATOM 0 HB VAL A 80 -8.324 -6.334 1.708 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.217 -4.505 3.127 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -8.616 -5.852 4.123 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.643 -4.372 3.946 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -8.136 -3.991 0.932 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -6.557 -3.849 1.740 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.758 -4.965 0.369 1.00 0.00 H new ATOM 1292 N THR A 81 -5.136 -6.312 0.574 1.00 0.00 N ATOM 1293 CA THR A 81 -4.494 -6.912 -0.630 1.00 0.00 C ATOM 1294 C THR A 81 -3.345 -7.826 -0.198 1.00 0.00 C ATOM 1295 O THR A 81 -2.805 -8.575 -0.988 1.00 0.00 O ATOM 1296 CB THR A 81 -3.956 -5.801 -1.533 1.00 0.00 C ATOM 1297 OG1 THR A 81 -4.762 -4.642 -1.382 1.00 0.00 O ATOM 1298 CG2 THR A 81 -3.993 -6.261 -2.992 1.00 0.00 C ATOM 0 H THR A 81 -5.056 -5.298 0.652 1.00 0.00 H new ATOM 0 HA THR A 81 -5.232 -7.496 -1.179 1.00 0.00 H new ATOM 0 HB THR A 81 -2.928 -5.571 -1.253 1.00 0.00 H new ATOM 0 HG1 THR A 81 -4.501 -4.166 -0.566 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.609 -5.468 -3.633 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.376 -7.152 -3.108 1.00 0.00 H new ATOM 0 HG23 THR A 81 -5.020 -6.491 -3.275 1.00 0.00 H new ATOM 1306 N THR A 82 -2.970 -7.776 1.051 1.00 0.00 N ATOM 1307 CA THR A 82 -1.863 -8.645 1.533 1.00 0.00 C ATOM 1308 C THR A 82 -2.459 -9.866 2.239 1.00 0.00 C ATOM 1309 O THR A 82 -1.954 -10.967 2.136 1.00 0.00 O ATOM 1310 CB THR A 82 -0.987 -7.859 2.515 1.00 0.00 C ATOM 1311 OG1 THR A 82 -1.793 -6.933 3.229 1.00 0.00 O ATOM 1312 CG2 THR A 82 0.100 -7.104 1.748 1.00 0.00 C ATOM 0 H THR A 82 -3.384 -7.169 1.759 1.00 0.00 H new ATOM 0 HA THR A 82 -1.254 -8.970 0.690 1.00 0.00 H new ATOM 0 HB THR A 82 -0.518 -8.551 3.214 1.00 0.00 H new ATOM 0 HG1 THR A 82 -1.905 -6.118 2.697 1.00 0.00 H new ATOM 0 HG21 THR A 82 0.720 -6.547 2.450 1.00 0.00 H new ATOM 0 HG22 THR A 82 0.720 -7.815 1.201 1.00 0.00 H new ATOM 0 HG23 THR A 82 -0.364 -6.412 1.046 1.00 0.00 H new ATOM 1320 N ALA A 83 -3.534 -9.675 2.951 1.00 0.00 N ATOM 1321 CA ALA A 83 -4.175 -10.816 3.664 1.00 0.00 C ATOM 1322 C ALA A 83 -4.917 -11.694 2.654 1.00 0.00 C ATOM 1323 O ALA A 83 -4.458 -12.758 2.287 1.00 0.00 O ATOM 1324 CB ALA A 83 -5.164 -10.276 4.697 1.00 0.00 C ATOM 0 H ALA A 83 -3.998 -8.775 3.071 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.411 -11.409 4.167 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -5.634 -11.108 5.220 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -4.635 -9.649 5.415 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.929 -9.685 4.194 1.00 0.00 H new ATOM 1481 N SER B 1 -9.443 -0.901 -13.563 1.00 0.00 N ATOM 1482 CA SER B 1 -9.735 0.231 -12.639 1.00 0.00 C ATOM 1483 C SER B 1 -8.423 0.876 -12.184 1.00 0.00 C ATOM 1484 O SER B 1 -7.349 0.400 -12.491 1.00 0.00 O ATOM 1485 CB SER B 1 -10.498 -0.289 -11.423 1.00 0.00 C ATOM 1486 OG SER B 1 -9.582 -0.538 -10.367 1.00 0.00 O ATOM 0 H1 SER B 1 -10.021 -0.805 -14.423 1.00 0.00 H new ATOM 0 H2 SER B 1 -8.435 -0.888 -13.820 1.00 0.00 H new ATOM 0 H3 SER B 1 -9.669 -1.800 -13.092 1.00 0.00 H new ATOM 0 HA SER B 1 -10.341 0.974 -13.157 1.00 0.00 H new ATOM 0 HB2 SER B 1 -11.244 0.440 -11.108 1.00 0.00 H new ATOM 0 HB3 SER B 1 -11.034 -1.203 -11.679 1.00 0.00 H new ATOM 0 HG SER B 1 -9.554 -1.499 -10.178 1.00 0.00 H new ATOM 1492 N GLU B 2 -8.499 1.961 -11.462 1.00 0.00 N ATOM 1493 CA GLU B 2 -7.257 2.643 -10.999 1.00 0.00 C ATOM 1494 C GLU B 2 -6.684 1.932 -9.769 1.00 0.00 C ATOM 1495 O GLU B 2 -5.491 1.929 -9.546 1.00 0.00 O ATOM 1496 CB GLU B 2 -7.580 4.094 -10.631 1.00 0.00 C ATOM 1497 CG GLU B 2 -6.320 4.951 -10.767 1.00 0.00 C ATOM 1498 CD GLU B 2 -6.475 5.906 -11.951 1.00 0.00 C ATOM 1499 OE1 GLU B 2 -6.384 5.441 -13.076 1.00 0.00 O ATOM 1500 OE2 GLU B 2 -6.682 7.085 -11.714 1.00 0.00 O ATOM 0 H GLU B 2 -9.370 2.405 -11.172 1.00 0.00 H new ATOM 0 HA GLU B 2 -6.522 2.615 -11.803 1.00 0.00 H new ATOM 0 HB2 GLU B 2 -8.365 4.479 -11.282 1.00 0.00 H new ATOM 0 HB3 GLU B 2 -7.958 4.145 -9.610 1.00 0.00 H new ATOM 0 HG2 GLU B 2 -6.152 5.516 -9.850 1.00 0.00 H new ATOM 0 HG3 GLU B 2 -5.448 4.313 -10.913 1.00 0.00 H new ATOM 1507 N LEU B 3 -7.522 1.345 -8.963 1.00 0.00 N ATOM 1508 CA LEU B 3 -7.017 0.653 -7.743 1.00 0.00 C ATOM 1509 C LEU B 3 -6.479 -0.731 -8.102 1.00 0.00 C ATOM 1510 O LEU B 3 -5.371 -1.084 -7.770 1.00 0.00 O ATOM 1511 CB LEU B 3 -8.160 0.495 -6.744 1.00 0.00 C ATOM 1512 CG LEU B 3 -7.595 0.110 -5.378 1.00 0.00 C ATOM 1513 CD1 LEU B 3 -6.918 1.326 -4.739 1.00 0.00 C ATOM 1514 CD2 LEU B 3 -8.732 -0.373 -4.476 1.00 0.00 C ATOM 0 H LEU B 3 -8.533 1.314 -9.094 1.00 0.00 H new ATOM 0 HA LEU B 3 -6.214 1.248 -7.308 1.00 0.00 H new ATOM 0 HB2 LEU B 3 -8.721 1.426 -6.668 1.00 0.00 H new ATOM 0 HB3 LEU B 3 -8.856 -0.269 -7.090 1.00 0.00 H new ATOM 0 HG LEU B 3 -6.862 -0.687 -5.501 1.00 0.00 H new ATOM 0 HD11 LEU B 3 -6.516 1.048 -3.765 1.00 0.00 H new ATOM 0 HD12 LEU B 3 -6.107 1.670 -5.381 1.00 0.00 H new ATOM 0 HD13 LEU B 3 -7.648 2.126 -4.616 1.00 0.00 H new ATOM 0 HD21 LEU B 3 -8.331 -0.648 -3.501 1.00 0.00 H new ATOM 0 HD22 LEU B 3 -9.464 0.425 -4.355 1.00 0.00 H new ATOM 0 HD23 LEU B 3 -9.212 -1.241 -4.929 1.00 0.00 H new ATOM 1526 N GLU B 4 -7.263 -1.524 -8.763 1.00 0.00 N ATOM 1527 CA GLU B 4 -6.802 -2.894 -9.123 1.00 0.00 C ATOM 1528 C GLU B 4 -5.467 -2.818 -9.867 1.00 0.00 C ATOM 1529 O GLU B 4 -4.519 -3.494 -9.526 1.00 0.00 O ATOM 1530 CB GLU B 4 -7.851 -3.560 -10.018 1.00 0.00 C ATOM 1531 CG GLU B 4 -7.305 -4.884 -10.563 1.00 0.00 C ATOM 1532 CD GLU B 4 -7.524 -4.944 -12.076 1.00 0.00 C ATOM 1533 OE1 GLU B 4 -7.901 -3.932 -12.644 1.00 0.00 O ATOM 1534 OE2 GLU B 4 -7.309 -6.004 -12.642 1.00 0.00 O ATOM 0 H GLU B 4 -8.206 -1.287 -9.072 1.00 0.00 H new ATOM 0 HA GLU B 4 -6.668 -3.480 -8.214 1.00 0.00 H new ATOM 0 HB2 GLU B 4 -8.765 -3.739 -9.451 1.00 0.00 H new ATOM 0 HB3 GLU B 4 -8.112 -2.897 -10.843 1.00 0.00 H new ATOM 0 HG2 GLU B 4 -6.243 -4.973 -10.335 1.00 0.00 H new ATOM 0 HG3 GLU B 4 -7.806 -5.723 -10.079 1.00 0.00 H new ATOM 1541 N LYS B 5 -5.385 -2.014 -10.887 1.00 0.00 N ATOM 1542 CA LYS B 5 -4.113 -1.916 -11.655 1.00 0.00 C ATOM 1543 C LYS B 5 -2.995 -1.352 -10.770 1.00 0.00 C ATOM 1544 O LYS B 5 -1.845 -1.714 -10.907 1.00 0.00 O ATOM 1545 CB LYS B 5 -4.318 -0.993 -12.855 1.00 0.00 C ATOM 1546 CG LYS B 5 -5.593 -1.397 -13.597 1.00 0.00 C ATOM 1547 CD LYS B 5 -5.225 -2.233 -14.819 1.00 0.00 C ATOM 1548 CE LYS B 5 -5.355 -3.720 -14.484 1.00 0.00 C ATOM 1549 NZ LYS B 5 -5.119 -4.528 -15.713 1.00 0.00 N ATOM 0 H LYS B 5 -6.143 -1.420 -11.223 1.00 0.00 H new ATOM 0 HA LYS B 5 -3.828 -2.912 -11.993 1.00 0.00 H new ATOM 0 HB2 LYS B 5 -4.391 0.043 -12.523 1.00 0.00 H new ATOM 0 HB3 LYS B 5 -3.460 -1.053 -13.525 1.00 0.00 H new ATOM 0 HG2 LYS B 5 -6.246 -1.967 -12.936 1.00 0.00 H new ATOM 0 HG3 LYS B 5 -6.146 -0.509 -13.903 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -5.878 -1.980 -15.655 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -4.205 -2.008 -15.132 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -4.636 -3.994 -13.712 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -6.347 -3.928 -14.084 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -5.207 -5.539 -15.486 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -5.821 -4.273 -16.436 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -4.163 -4.337 -16.076 1.00 0.00 H new ATOM 1563 N ALA B 6 -3.318 -0.461 -9.874 1.00 0.00 N ATOM 1564 CA ALA B 6 -2.263 0.132 -8.999 1.00 0.00 C ATOM 1565 C ALA B 6 -1.926 -0.825 -7.852 1.00 0.00 C ATOM 1566 O ALA B 6 -0.876 -1.434 -7.823 1.00 0.00 O ATOM 1567 CB ALA B 6 -2.773 1.456 -8.424 1.00 0.00 C ATOM 0 H ALA B 6 -4.264 -0.117 -9.709 1.00 0.00 H new ATOM 0 HA ALA B 6 -1.364 0.304 -9.590 1.00 0.00 H new ATOM 0 HB1 ALA B 6 -2.007 1.894 -7.784 1.00 0.00 H new ATOM 0 HB2 ALA B 6 -3.001 2.143 -9.239 1.00 0.00 H new ATOM 0 HB3 ALA B 6 -3.675 1.275 -7.839 1.00 0.00 H new ATOM 1573 N MET B 7 -2.809 -0.950 -6.905 1.00 0.00 N ATOM 1574 CA MET B 7 -2.558 -1.852 -5.749 1.00 0.00 C ATOM 1575 C MET B 7 -1.969 -3.173 -6.238 1.00 0.00 C ATOM 1576 O MET B 7 -0.980 -3.657 -5.723 1.00 0.00 O ATOM 1577 CB MET B 7 -3.887 -2.127 -5.034 1.00 0.00 C ATOM 1578 CG MET B 7 -3.737 -3.332 -4.097 1.00 0.00 C ATOM 1579 SD MET B 7 -2.233 -3.150 -3.105 1.00 0.00 S ATOM 1580 CE MET B 7 -2.997 -2.310 -1.699 1.00 0.00 C ATOM 0 H MET B 7 -3.704 -0.461 -6.882 1.00 0.00 H new ATOM 0 HA MET B 7 -1.854 -1.377 -5.065 1.00 0.00 H new ATOM 0 HB2 MET B 7 -4.192 -1.249 -4.465 1.00 0.00 H new ATOM 0 HB3 MET B 7 -4.671 -2.320 -5.766 1.00 0.00 H new ATOM 0 HG2 MET B 7 -4.607 -3.409 -3.445 1.00 0.00 H new ATOM 0 HG3 MET B 7 -3.692 -4.253 -4.678 1.00 0.00 H new ATOM 0 HE1 MET B 7 -2.586 -1.304 -1.609 1.00 0.00 H new ATOM 0 HE2 MET B 7 -4.074 -2.250 -1.853 1.00 0.00 H new ATOM 0 HE3 MET B 7 -2.792 -2.869 -0.786 1.00 0.00 H new ATOM 1590 N VAL B 8 -2.582 -3.768 -7.218 1.00 0.00 N ATOM 1591 CA VAL B 8 -2.073 -5.069 -7.729 1.00 0.00 C ATOM 1592 C VAL B 8 -0.713 -4.870 -8.401 1.00 0.00 C ATOM 1593 O VAL B 8 0.151 -5.720 -8.329 1.00 0.00 O ATOM 1594 CB VAL B 8 -3.070 -5.653 -8.729 1.00 0.00 C ATOM 1595 CG1 VAL B 8 -2.689 -7.097 -9.041 1.00 0.00 C ATOM 1596 CG2 VAL B 8 -4.474 -5.631 -8.122 1.00 0.00 C ATOM 0 H VAL B 8 -3.414 -3.411 -7.688 1.00 0.00 H new ATOM 0 HA VAL B 8 -1.955 -5.761 -6.895 1.00 0.00 H new ATOM 0 HB VAL B 8 -3.053 -5.059 -9.643 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -3.400 -7.515 -9.754 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -1.687 -7.125 -9.469 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -2.708 -7.685 -8.123 1.00 0.00 H new ATOM 0 HG21 VAL B 8 -5.185 -6.048 -8.835 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -4.485 -6.226 -7.209 1.00 0.00 H new ATOM 0 HG23 VAL B 8 -4.754 -4.604 -7.889 1.00 0.00 H new ATOM 1606 N ALA B 9 -0.508 -3.753 -9.045 1.00 0.00 N ATOM 1607 CA ALA B 9 0.807 -3.515 -9.704 1.00 0.00 C ATOM 1608 C ALA B 9 1.913 -3.607 -8.651 1.00 0.00 C ATOM 1609 O ALA B 9 2.960 -4.176 -8.886 1.00 0.00 O ATOM 1610 CB ALA B 9 0.819 -2.126 -10.345 1.00 0.00 C ATOM 0 H ALA B 9 -1.189 -3.000 -9.143 1.00 0.00 H new ATOM 0 HA ALA B 9 0.972 -4.264 -10.479 1.00 0.00 H new ATOM 0 HB1 ALA B 9 1.782 -1.956 -10.826 1.00 0.00 H new ATOM 0 HB2 ALA B 9 0.025 -2.062 -11.089 1.00 0.00 H new ATOM 0 HB3 ALA B 9 0.658 -1.369 -9.577 1.00 0.00 H new ATOM 1616 N LEU B 10 1.683 -3.064 -7.486 1.00 0.00 N ATOM 1617 CA LEU B 10 2.716 -3.134 -6.415 1.00 0.00 C ATOM 1618 C LEU B 10 3.058 -4.600 -6.158 1.00 0.00 C ATOM 1619 O LEU B 10 4.205 -4.996 -6.203 1.00 0.00 O ATOM 1620 CB LEU B 10 2.170 -2.502 -5.133 1.00 0.00 C ATOM 1621 CG LEU B 10 3.024 -1.291 -4.752 1.00 0.00 C ATOM 1622 CD1 LEU B 10 2.119 -0.179 -4.218 1.00 0.00 C ATOM 1623 CD2 LEU B 10 4.028 -1.694 -3.670 1.00 0.00 C ATOM 0 H LEU B 10 0.825 -2.575 -7.231 1.00 0.00 H new ATOM 0 HA LEU B 10 3.610 -2.593 -6.726 1.00 0.00 H new ATOM 0 HB2 LEU B 10 1.134 -2.197 -5.279 1.00 0.00 H new ATOM 0 HB3 LEU B 10 2.176 -3.233 -4.324 1.00 0.00 H new ATOM 0 HG LEU B 10 3.561 -0.934 -5.631 1.00 0.00 H new ATOM 0 HD11 LEU B 10 2.726 0.685 -3.946 1.00 0.00 H new ATOM 0 HD12 LEU B 10 1.403 0.109 -4.988 1.00 0.00 H new ATOM 0 HD13 LEU B 10 1.583 -0.537 -3.339 1.00 0.00 H new ATOM 0 HD21 LEU B 10 4.636 -0.831 -3.399 1.00 0.00 H new ATOM 0 HD22 LEU B 10 3.492 -2.051 -2.791 1.00 0.00 H new ATOM 0 HD23 LEU B 10 4.672 -2.487 -4.049 1.00 0.00 H new ATOM 1635 N ILE B 11 2.071 -5.416 -5.901 1.00 0.00 N ATOM 1636 CA ILE B 11 2.350 -6.859 -5.659 1.00 0.00 C ATOM 1637 C ILE B 11 3.237 -7.375 -6.790 1.00 0.00 C ATOM 1638 O ILE B 11 4.024 -8.283 -6.617 1.00 0.00 O ATOM 1639 CB ILE B 11 1.035 -7.642 -5.631 1.00 0.00 C ATOM 1640 CG1 ILE B 11 0.314 -7.379 -4.308 1.00 0.00 C ATOM 1641 CG2 ILE B 11 1.321 -9.140 -5.762 1.00 0.00 C ATOM 1642 CD1 ILE B 11 -0.373 -6.013 -4.362 1.00 0.00 C ATOM 0 H ILE B 11 1.089 -5.147 -5.849 1.00 0.00 H new ATOM 0 HA ILE B 11 2.854 -6.988 -4.701 1.00 0.00 H new ATOM 0 HB ILE B 11 0.408 -7.320 -6.462 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -0.422 -8.161 -4.122 1.00 0.00 H new ATOM 0 HG13 ILE B 11 1.025 -7.408 -3.482 1.00 0.00 H new ATOM 0 HG21 ILE B 11 0.382 -9.693 -5.742 1.00 0.00 H new ATOM 0 HG22 ILE B 11 1.834 -9.331 -6.704 1.00 0.00 H new ATOM 0 HG23 ILE B 11 1.951 -9.464 -4.934 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -0.887 -5.826 -3.419 1.00 0.00 H new ATOM 0 HD12 ILE B 11 0.374 -5.237 -4.528 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -1.096 -6.001 -5.177 1.00 0.00 H new ATOM 1654 N ASP B 12 3.117 -6.789 -7.951 1.00 0.00 N ATOM 1655 CA ASP B 12 3.953 -7.226 -9.101 1.00 0.00 C ATOM 1656 C ASP B 12 5.425 -6.961 -8.779 1.00 0.00 C ATOM 1657 O ASP B 12 6.266 -7.824 -8.923 1.00 0.00 O ATOM 1658 CB ASP B 12 3.550 -6.437 -10.349 1.00 0.00 C ATOM 1659 CG ASP B 12 3.925 -7.233 -11.600 1.00 0.00 C ATOM 1660 OD1 ASP B 12 4.212 -8.412 -11.466 1.00 0.00 O ATOM 1661 OD2 ASP B 12 3.918 -6.650 -12.672 1.00 0.00 O ATOM 0 H ASP B 12 2.473 -6.024 -8.151 1.00 0.00 H new ATOM 0 HA ASP B 12 3.805 -8.290 -9.283 1.00 0.00 H new ATOM 0 HB2 ASP B 12 2.478 -6.241 -10.338 1.00 0.00 H new ATOM 0 HB3 ASP B 12 4.051 -5.469 -10.357 1.00 0.00 H new ATOM 1666 N VAL B 13 5.740 -5.771 -8.339 1.00 0.00 N ATOM 1667 CA VAL B 13 7.157 -5.453 -8.001 1.00 0.00 C ATOM 1668 C VAL B 13 7.715 -6.550 -7.093 1.00 0.00 C ATOM 1669 O VAL B 13 8.862 -6.932 -7.194 1.00 0.00 O ATOM 1670 CB VAL B 13 7.229 -4.110 -7.267 1.00 0.00 C ATOM 1671 CG1 VAL B 13 8.657 -3.876 -6.781 1.00 0.00 C ATOM 1672 CG2 VAL B 13 6.834 -2.978 -8.213 1.00 0.00 C ATOM 0 H VAL B 13 5.078 -5.008 -8.200 1.00 0.00 H new ATOM 0 HA VAL B 13 7.741 -5.394 -8.919 1.00 0.00 H new ATOM 0 HB VAL B 13 6.544 -4.130 -6.419 1.00 0.00 H new ATOM 0 HG11 VAL B 13 8.712 -2.921 -6.258 1.00 0.00 H new ATOM 0 HG12 VAL B 13 8.946 -4.678 -6.102 1.00 0.00 H new ATOM 0 HG13 VAL B 13 9.334 -3.861 -7.635 1.00 0.00 H new ATOM 0 HG21 VAL B 13 6.888 -2.026 -7.684 1.00 0.00 H new ATOM 0 HG22 VAL B 13 7.516 -2.960 -9.063 1.00 0.00 H new ATOM 0 HG23 VAL B 13 5.816 -3.139 -8.568 1.00 0.00 H new ATOM 1682 N PHE B 14 6.907 -7.054 -6.201 1.00 0.00 N ATOM 1683 CA PHE B 14 7.383 -8.122 -5.279 1.00 0.00 C ATOM 1684 C PHE B 14 7.824 -9.344 -6.088 1.00 0.00 C ATOM 1685 O PHE B 14 8.827 -9.963 -5.797 1.00 0.00 O ATOM 1686 CB PHE B 14 6.244 -8.521 -4.341 1.00 0.00 C ATOM 1687 CG PHE B 14 6.815 -9.013 -3.033 1.00 0.00 C ATOM 1688 CD1 PHE B 14 7.474 -10.245 -2.978 1.00 0.00 C ATOM 1689 CD2 PHE B 14 6.685 -8.235 -1.877 1.00 0.00 C ATOM 1690 CE1 PHE B 14 8.003 -10.702 -1.766 1.00 0.00 C ATOM 1691 CE2 PHE B 14 7.214 -8.690 -0.664 1.00 0.00 C ATOM 1692 CZ PHE B 14 7.874 -9.925 -0.608 1.00 0.00 C ATOM 0 H PHE B 14 5.936 -6.771 -6.071 1.00 0.00 H new ATOM 0 HA PHE B 14 8.227 -7.750 -4.698 1.00 0.00 H new ATOM 0 HB2 PHE B 14 5.588 -7.668 -4.165 1.00 0.00 H new ATOM 0 HB3 PHE B 14 5.637 -9.301 -4.801 1.00 0.00 H new ATOM 0 HD1 PHE B 14 7.575 -10.844 -3.871 1.00 0.00 H new ATOM 0 HD2 PHE B 14 6.176 -7.283 -1.921 1.00 0.00 H new ATOM 0 HE1 PHE B 14 8.511 -11.654 -1.723 1.00 0.00 H new ATOM 0 HE2 PHE B 14 7.114 -8.090 0.228 1.00 0.00 H new ATOM 0 HZ PHE B 14 8.283 -10.277 0.327 1.00 0.00 H new ATOM 1702 N HIS B 15 7.082 -9.698 -7.101 1.00 0.00 N ATOM 1703 CA HIS B 15 7.462 -10.881 -7.924 1.00 0.00 C ATOM 1704 C HIS B 15 8.717 -10.556 -8.734 1.00 0.00 C ATOM 1705 O HIS B 15 9.406 -11.436 -9.207 1.00 0.00 O ATOM 1706 CB HIS B 15 6.317 -11.230 -8.876 1.00 0.00 C ATOM 1707 CG HIS B 15 6.572 -12.577 -9.497 1.00 0.00 C ATOM 1708 ND1 HIS B 15 7.413 -13.511 -8.914 1.00 0.00 N ATOM 1709 CD2 HIS B 15 6.103 -13.161 -10.646 1.00 0.00 C ATOM 1710 CE1 HIS B 15 7.424 -14.598 -9.708 1.00 0.00 C ATOM 1711 NE2 HIS B 15 6.642 -14.437 -10.779 1.00 0.00 N ATOM 0 H HIS B 15 6.230 -9.220 -7.394 1.00 0.00 H new ATOM 0 HA HIS B 15 7.661 -11.730 -7.270 1.00 0.00 H new ATOM 0 HB2 HIS B 15 5.371 -11.241 -8.335 1.00 0.00 H new ATOM 0 HB3 HIS B 15 6.232 -10.470 -9.653 1.00 0.00 H new ATOM 0 HD2 HIS B 15 5.418 -12.700 -11.343 1.00 0.00 H new ATOM 0 HE1 HIS B 15 7.995 -15.491 -9.504 1.00 0.00 H new ATOM 0 HE2 HIS B 15 6.476 -15.105 -11.532 1.00 0.00 H new ATOM 1719 N GLN B 16 9.016 -9.296 -8.899 1.00 0.00 N ATOM 1720 CA GLN B 16 10.223 -8.912 -9.682 1.00 0.00 C ATOM 1721 C GLN B 16 11.471 -9.070 -8.811 1.00 0.00 C ATOM 1722 O GLN B 16 12.412 -9.745 -9.176 1.00 0.00 O ATOM 1723 CB GLN B 16 10.090 -7.457 -10.132 1.00 0.00 C ATOM 1724 CG GLN B 16 10.586 -7.325 -11.573 1.00 0.00 C ATOM 1725 CD GLN B 16 9.560 -7.947 -12.524 1.00 0.00 C ATOM 1726 OE1 GLN B 16 8.373 -7.885 -12.279 1.00 0.00 O ATOM 1727 NE2 GLN B 16 9.971 -8.547 -13.608 1.00 0.00 N ATOM 0 H GLN B 16 8.476 -8.516 -8.525 1.00 0.00 H new ATOM 0 HA GLN B 16 10.312 -9.557 -10.556 1.00 0.00 H new ATOM 0 HB2 GLN B 16 9.050 -7.137 -10.062 1.00 0.00 H new ATOM 0 HB3 GLN B 16 10.668 -6.807 -9.475 1.00 0.00 H new ATOM 0 HG2 GLN B 16 10.739 -6.275 -11.822 1.00 0.00 H new ATOM 0 HG3 GLN B 16 11.550 -7.822 -11.684 1.00 0.00 H new ATOM 0 HE21 GLN B 16 10.968 -8.600 -13.815 1.00 0.00 H new ATOM 0 HE22 GLN B 16 9.295 -8.963 -14.248 1.00 0.00 H new ATOM 1736 N TYR B 17 11.488 -8.452 -7.662 1.00 0.00 N ATOM 1737 CA TYR B 17 12.677 -8.571 -6.771 1.00 0.00 C ATOM 1738 C TYR B 17 12.622 -9.905 -6.025 1.00 0.00 C ATOM 1739 O TYR B 17 13.545 -10.692 -6.069 1.00 0.00 O ATOM 1740 CB TYR B 17 12.673 -7.422 -5.760 1.00 0.00 C ATOM 1741 CG TYR B 17 12.846 -6.111 -6.486 1.00 0.00 C ATOM 1742 CD1 TYR B 17 11.766 -5.541 -7.168 1.00 0.00 C ATOM 1743 CD2 TYR B 17 14.087 -5.463 -6.475 1.00 0.00 C ATOM 1744 CE1 TYR B 17 11.926 -4.324 -7.841 1.00 0.00 C ATOM 1745 CE2 TYR B 17 14.247 -4.245 -7.147 1.00 0.00 C ATOM 1746 CZ TYR B 17 13.167 -3.676 -7.831 1.00 0.00 C ATOM 1747 OH TYR B 17 13.325 -2.476 -8.494 1.00 0.00 O ATOM 0 H TYR B 17 10.731 -7.871 -7.302 1.00 0.00 H new ATOM 0 HA TYR B 17 13.587 -8.526 -7.370 1.00 0.00 H new ATOM 0 HB2 TYR B 17 11.737 -7.419 -5.201 1.00 0.00 H new ATOM 0 HB3 TYR B 17 13.477 -7.558 -5.036 1.00 0.00 H new ATOM 0 HD1 TYR B 17 10.808 -6.040 -7.175 1.00 0.00 H new ATOM 0 HD2 TYR B 17 14.921 -5.903 -5.948 1.00 0.00 H new ATOM 0 HE1 TYR B 17 11.092 -3.885 -8.368 1.00 0.00 H new ATOM 0 HE2 TYR B 17 15.204 -3.745 -7.137 1.00 0.00 H new ATOM 0 HH TYR B 17 12.453 -2.158 -8.807 1.00 0.00 H new ATOM 1757 N SER B 18 11.544 -10.160 -5.338 1.00 0.00 N ATOM 1758 CA SER B 18 11.420 -11.439 -4.584 1.00 0.00 C ATOM 1759 C SER B 18 10.907 -12.535 -5.523 1.00 0.00 C ATOM 1760 O SER B 18 9.833 -13.073 -5.339 1.00 0.00 O ATOM 1761 CB SER B 18 10.436 -11.249 -3.431 1.00 0.00 C ATOM 1762 OG SER B 18 10.820 -12.079 -2.344 1.00 0.00 O ATOM 0 H SER B 18 10.741 -9.536 -5.266 1.00 0.00 H new ATOM 0 HA SER B 18 12.393 -11.729 -4.188 1.00 0.00 H new ATOM 0 HB2 SER B 18 10.421 -10.205 -3.119 1.00 0.00 H new ATOM 0 HB3 SER B 18 9.426 -11.499 -3.755 1.00 0.00 H new ATOM 0 HG SER B 18 11.352 -11.558 -1.706 1.00 0.00 H new ATOM 1855 N HIS B 25 8.889 -15.229 -1.849 1.00 0.00 N ATOM 1856 CA HIS B 25 7.683 -14.635 -1.216 1.00 0.00 C ATOM 1857 C HIS B 25 8.113 -13.772 -0.019 1.00 0.00 C ATOM 1858 O HIS B 25 7.292 -13.281 0.731 1.00 0.00 O ATOM 1859 CB HIS B 25 6.745 -15.782 -0.785 1.00 0.00 C ATOM 1860 CG HIS B 25 6.448 -15.733 0.694 1.00 0.00 C ATOM 1861 ND1 HIS B 25 5.157 -15.631 1.187 1.00 0.00 N ATOM 1862 CD2 HIS B 25 7.267 -15.775 1.796 1.00 0.00 C ATOM 1863 CE1 HIS B 25 5.237 -15.614 2.530 1.00 0.00 C ATOM 1864 NE2 HIS B 25 6.500 -15.699 2.953 1.00 0.00 N ATOM 0 HA HIS B 25 7.148 -13.992 -1.915 1.00 0.00 H new ATOM 0 HB2 HIS B 25 5.812 -15.720 -1.346 1.00 0.00 H new ATOM 0 HB3 HIS B 25 7.203 -16.740 -1.033 1.00 0.00 H new ATOM 0 HD2 HIS B 25 8.344 -15.855 1.768 1.00 0.00 H new ATOM 0 HE1 HIS B 25 4.382 -15.540 3.186 1.00 0.00 H new ATOM 0 HE2 HIS B 25 6.831 -15.707 3.918 1.00 0.00 H new ATOM 1872 N LYS B 26 9.390 -13.584 0.162 1.00 0.00 N ATOM 1873 CA LYS B 26 9.870 -12.756 1.305 1.00 0.00 C ATOM 1874 C LYS B 26 10.905 -11.752 0.800 1.00 0.00 C ATOM 1875 O LYS B 26 11.821 -12.100 0.082 1.00 0.00 O ATOM 1876 CB LYS B 26 10.511 -13.663 2.356 1.00 0.00 C ATOM 1877 CG LYS B 26 11.654 -14.453 1.718 1.00 0.00 C ATOM 1878 CD LYS B 26 11.801 -15.802 2.423 1.00 0.00 C ATOM 1879 CE LYS B 26 12.678 -15.635 3.666 1.00 0.00 C ATOM 1880 NZ LYS B 26 12.730 -16.925 4.411 1.00 0.00 N ATOM 0 H LYS B 26 10.124 -13.968 -0.433 1.00 0.00 H new ATOM 0 HA LYS B 26 9.030 -12.223 1.750 1.00 0.00 H new ATOM 0 HB2 LYS B 26 10.887 -13.066 3.187 1.00 0.00 H new ATOM 0 HB3 LYS B 26 9.767 -14.346 2.765 1.00 0.00 H new ATOM 0 HG2 LYS B 26 11.456 -14.605 0.657 1.00 0.00 H new ATOM 0 HG3 LYS B 26 12.584 -13.890 1.791 1.00 0.00 H new ATOM 0 HD2 LYS B 26 10.821 -16.186 2.705 1.00 0.00 H new ATOM 0 HD3 LYS B 26 12.246 -16.532 1.746 1.00 0.00 H new ATOM 0 HE2 LYS B 26 13.683 -15.328 3.377 1.00 0.00 H new ATOM 0 HE3 LYS B 26 12.276 -14.849 4.305 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 13.326 -16.814 5.256 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 11.769 -17.199 4.698 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 13.132 -17.663 3.799 1.00 0.00 H new ATOM 1894 N LEU B 27 10.771 -10.507 1.165 1.00 0.00 N ATOM 1895 CA LEU B 27 11.748 -9.485 0.702 1.00 0.00 C ATOM 1896 C LEU B 27 12.832 -9.297 1.765 1.00 0.00 C ATOM 1897 O LEU B 27 13.091 -10.177 2.560 1.00 0.00 O ATOM 1898 CB LEU B 27 11.022 -8.158 0.468 1.00 0.00 C ATOM 1899 CG LEU B 27 11.249 -7.699 -0.972 1.00 0.00 C ATOM 1900 CD1 LEU B 27 10.280 -6.565 -1.309 1.00 0.00 C ATOM 1901 CD2 LEU B 27 12.688 -7.201 -1.126 1.00 0.00 C ATOM 0 H LEU B 27 10.025 -10.154 1.765 1.00 0.00 H new ATOM 0 HA LEU B 27 12.209 -9.815 -0.229 1.00 0.00 H new ATOM 0 HB2 LEU B 27 9.955 -8.276 0.659 1.00 0.00 H new ATOM 0 HB3 LEU B 27 11.389 -7.403 1.164 1.00 0.00 H new ATOM 0 HG LEU B 27 11.077 -8.535 -1.650 1.00 0.00 H new ATOM 0 HD11 LEU B 27 10.444 -6.240 -2.336 1.00 0.00 H new ATOM 0 HD12 LEU B 27 9.255 -6.918 -1.199 1.00 0.00 H new ATOM 0 HD13 LEU B 27 10.450 -5.728 -0.632 1.00 0.00 H new ATOM 0 HD21 LEU B 27 12.852 -6.873 -2.153 1.00 0.00 H new ATOM 0 HD22 LEU B 27 12.859 -6.366 -0.447 1.00 0.00 H new ATOM 0 HD23 LEU B 27 13.380 -8.009 -0.888 1.00 0.00 H new ATOM 1913 N LYS B 28 13.469 -8.158 1.783 1.00 0.00 N ATOM 1914 CA LYS B 28 14.535 -7.914 2.792 1.00 0.00 C ATOM 1915 C LYS B 28 14.584 -6.420 3.122 1.00 0.00 C ATOM 1916 O LYS B 28 14.046 -5.602 2.406 1.00 0.00 O ATOM 1917 CB LYS B 28 15.883 -8.356 2.221 1.00 0.00 C ATOM 1918 CG LYS B 28 16.030 -9.872 2.369 1.00 0.00 C ATOM 1919 CD LYS B 28 17.378 -10.311 1.796 1.00 0.00 C ATOM 1920 CE LYS B 28 18.459 -10.171 2.869 1.00 0.00 C ATOM 1921 NZ LYS B 28 19.269 -11.420 2.919 1.00 0.00 N ATOM 0 H LYS B 28 13.296 -7.385 1.140 1.00 0.00 H new ATOM 0 HA LYS B 28 14.321 -8.481 3.698 1.00 0.00 H new ATOM 0 HB2 LYS B 28 15.955 -8.074 1.170 1.00 0.00 H new ATOM 0 HB3 LYS B 28 16.695 -7.849 2.743 1.00 0.00 H new ATOM 0 HG2 LYS B 28 15.960 -10.154 3.419 1.00 0.00 H new ATOM 0 HG3 LYS B 28 15.218 -10.380 1.848 1.00 0.00 H new ATOM 0 HD2 LYS B 28 17.321 -11.345 1.455 1.00 0.00 H new ATOM 0 HD3 LYS B 28 17.632 -9.703 0.928 1.00 0.00 H new ATOM 0 HE2 LYS B 28 19.099 -9.317 2.647 1.00 0.00 H new ATOM 0 HE3 LYS B 28 18.001 -9.982 3.840 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 20.005 -11.328 3.648 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 18.652 -12.225 3.150 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 19.716 -11.581 1.994 1.00 0.00 H new ATOM 1935 N LYS B 29 15.223 -6.057 4.200 1.00 0.00 N ATOM 1936 CA LYS B 29 15.301 -4.614 4.567 1.00 0.00 C ATOM 1937 C LYS B 29 16.315 -3.915 3.661 1.00 0.00 C ATOM 1938 O LYS B 29 16.230 -2.729 3.416 1.00 0.00 O ATOM 1939 CB LYS B 29 15.737 -4.480 6.026 1.00 0.00 C ATOM 1940 CG LYS B 29 14.813 -5.316 6.910 1.00 0.00 C ATOM 1941 CD LYS B 29 15.386 -5.386 8.326 1.00 0.00 C ATOM 1942 CE LYS B 29 14.667 -4.376 9.222 1.00 0.00 C ATOM 1943 NZ LYS B 29 13.525 -5.044 9.907 1.00 0.00 N ATOM 0 H LYS B 29 15.694 -6.695 4.842 1.00 0.00 H new ATOM 0 HA LYS B 29 14.322 -4.152 4.441 1.00 0.00 H new ATOM 0 HB2 LYS B 29 16.768 -4.813 6.141 1.00 0.00 H new ATOM 0 HB3 LYS B 29 15.704 -3.435 6.332 1.00 0.00 H new ATOM 0 HG2 LYS B 29 13.816 -4.875 6.931 1.00 0.00 H new ATOM 0 HG3 LYS B 29 14.709 -6.320 6.498 1.00 0.00 H new ATOM 0 HD2 LYS B 29 15.267 -6.392 8.728 1.00 0.00 H new ATOM 0 HD3 LYS B 29 16.455 -5.174 8.307 1.00 0.00 H new ATOM 0 HE2 LYS B 29 15.360 -3.970 9.959 1.00 0.00 H new ATOM 0 HE3 LYS B 29 14.307 -3.537 8.626 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 12.726 -4.381 9.977 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 13.234 -5.880 9.362 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 13.816 -5.337 10.861 1.00 0.00 H new ATOM 1957 N SER B 30 17.272 -4.645 3.159 1.00 0.00 N ATOM 1958 CA SER B 30 18.290 -4.027 2.263 1.00 0.00 C ATOM 1959 C SER B 30 17.707 -3.888 0.856 1.00 0.00 C ATOM 1960 O SER B 30 17.971 -2.930 0.158 1.00 0.00 O ATOM 1961 CB SER B 30 19.536 -4.911 2.219 1.00 0.00 C ATOM 1962 OG SER B 30 20.489 -4.335 1.337 1.00 0.00 O ATOM 0 H SER B 30 17.393 -5.643 3.330 1.00 0.00 H new ATOM 0 HA SER B 30 18.562 -3.042 2.642 1.00 0.00 H new ATOM 0 HB2 SER B 30 19.961 -5.010 3.218 1.00 0.00 H new ATOM 0 HB3 SER B 30 19.273 -5.914 1.884 1.00 0.00 H new ATOM 0 HG SER B 30 21.290 -4.899 1.308 1.00 0.00 H new ATOM 1968 N GLU B 31 16.902 -4.828 0.438 1.00 0.00 N ATOM 1969 CA GLU B 31 16.291 -4.735 -0.914 1.00 0.00 C ATOM 1970 C GLU B 31 15.027 -3.890 -0.801 1.00 0.00 C ATOM 1971 O GLU B 31 14.535 -3.352 -1.770 1.00 0.00 O ATOM 1972 CB GLU B 31 15.940 -6.134 -1.425 1.00 0.00 C ATOM 1973 CG GLU B 31 16.072 -6.167 -2.949 1.00 0.00 C ATOM 1974 CD GLU B 31 15.987 -7.615 -3.437 1.00 0.00 C ATOM 1975 OE1 GLU B 31 15.296 -8.395 -2.804 1.00 0.00 O ATOM 1976 OE2 GLU B 31 16.615 -7.919 -4.437 1.00 0.00 O ATOM 0 H GLU B 31 16.643 -5.655 0.976 1.00 0.00 H new ATOM 0 HA GLU B 31 16.990 -4.279 -1.615 1.00 0.00 H new ATOM 0 HB2 GLU B 31 16.602 -6.874 -0.976 1.00 0.00 H new ATOM 0 HB3 GLU B 31 14.924 -6.396 -1.131 1.00 0.00 H new ATOM 0 HG2 GLU B 31 15.282 -5.571 -3.406 1.00 0.00 H new ATOM 0 HG3 GLU B 31 17.021 -5.725 -3.252 1.00 0.00 H new ATOM 1983 N LEU B 32 14.514 -3.751 0.389 1.00 0.00 N ATOM 1984 CA LEU B 32 13.305 -2.912 0.581 1.00 0.00 C ATOM 1985 C LEU B 32 13.764 -1.458 0.629 1.00 0.00 C ATOM 1986 O LEU B 32 13.136 -0.575 0.089 1.00 0.00 O ATOM 1987 CB LEU B 32 12.619 -3.282 1.898 1.00 0.00 C ATOM 1988 CG LEU B 32 11.571 -2.224 2.242 1.00 0.00 C ATOM 1989 CD1 LEU B 32 10.660 -1.999 1.035 1.00 0.00 C ATOM 1990 CD2 LEU B 32 10.732 -2.703 3.427 1.00 0.00 C ATOM 0 H LEU B 32 14.882 -4.184 1.236 1.00 0.00 H new ATOM 0 HA LEU B 32 12.595 -3.067 -0.231 1.00 0.00 H new ATOM 0 HB2 LEU B 32 12.148 -4.261 1.812 1.00 0.00 H new ATOM 0 HB3 LEU B 32 13.357 -3.352 2.697 1.00 0.00 H new ATOM 0 HG LEU B 32 12.070 -1.291 2.502 1.00 0.00 H new ATOM 0 HD11 LEU B 32 9.912 -1.245 1.279 1.00 0.00 H new ATOM 0 HD12 LEU B 32 11.256 -1.659 0.188 1.00 0.00 H new ATOM 0 HD13 LEU B 32 10.162 -2.933 0.776 1.00 0.00 H new ATOM 0 HD21 LEU B 32 9.985 -1.948 3.672 1.00 0.00 H new ATOM 0 HD22 LEU B 32 10.233 -3.636 3.166 1.00 0.00 H new ATOM 0 HD23 LEU B 32 11.379 -2.866 4.289 1.00 0.00 H new ATOM 2002 N LYS B 33 14.882 -1.218 1.259 1.00 0.00 N ATOM 2003 CA LYS B 33 15.426 0.166 1.343 1.00 0.00 C ATOM 2004 C LYS B 33 15.668 0.689 -0.071 1.00 0.00 C ATOM 2005 O LYS B 33 15.440 1.844 -0.370 1.00 0.00 O ATOM 2006 CB LYS B 33 16.752 0.132 2.104 1.00 0.00 C ATOM 2007 CG LYS B 33 17.002 1.489 2.767 1.00 0.00 C ATOM 2008 CD LYS B 33 18.504 1.781 2.780 1.00 0.00 C ATOM 2009 CE LYS B 33 18.798 2.924 3.755 1.00 0.00 C ATOM 2010 NZ LYS B 33 19.977 2.569 4.594 1.00 0.00 N ATOM 0 H LYS B 33 15.447 -1.929 1.723 1.00 0.00 H new ATOM 0 HA LYS B 33 14.721 0.816 1.861 1.00 0.00 H new ATOM 0 HB2 LYS B 33 16.729 -0.654 2.859 1.00 0.00 H new ATOM 0 HB3 LYS B 33 17.568 -0.106 1.422 1.00 0.00 H new ATOM 0 HG2 LYS B 33 16.473 2.273 2.226 1.00 0.00 H new ATOM 0 HG3 LYS B 33 16.612 1.486 3.785 1.00 0.00 H new ATOM 0 HD2 LYS B 33 19.055 0.888 3.074 1.00 0.00 H new ATOM 0 HD3 LYS B 33 18.841 2.048 1.779 1.00 0.00 H new ATOM 0 HE2 LYS B 33 18.993 3.845 3.205 1.00 0.00 H new ATOM 0 HE3 LYS B 33 17.930 3.109 4.388 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 20.017 3.198 5.421 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 19.892 1.583 4.913 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 20.847 2.678 4.034 1.00 0.00 H new ATOM 2024 N GLU B 34 16.127 -0.164 -0.940 1.00 0.00 N ATOM 2025 CA GLU B 34 16.387 0.259 -2.342 1.00 0.00 C ATOM 2026 C GLU B 34 15.054 0.323 -3.087 1.00 0.00 C ATOM 2027 O GLU B 34 14.797 1.219 -3.865 1.00 0.00 O ATOM 2028 CB GLU B 34 17.331 -0.760 -3.004 1.00 0.00 C ATOM 2029 CG GLU B 34 16.546 -1.961 -3.549 1.00 0.00 C ATOM 2030 CD GLU B 34 17.456 -2.794 -4.456 1.00 0.00 C ATOM 2031 OE1 GLU B 34 18.613 -2.435 -4.588 1.00 0.00 O ATOM 2032 OE2 GLU B 34 16.978 -3.776 -5.001 1.00 0.00 O ATOM 0 H GLU B 34 16.335 -1.142 -0.738 1.00 0.00 H new ATOM 0 HA GLU B 34 16.858 1.242 -2.369 1.00 0.00 H new ATOM 0 HB2 GLU B 34 17.879 -0.280 -3.815 1.00 0.00 H new ATOM 0 HB3 GLU B 34 18.069 -1.102 -2.279 1.00 0.00 H new ATOM 0 HG2 GLU B 34 16.177 -2.572 -2.725 1.00 0.00 H new ATOM 0 HG3 GLU B 34 15.675 -1.617 -4.106 1.00 0.00 H new ATOM 2039 N LEU B 35 14.210 -0.632 -2.835 1.00 0.00 N ATOM 2040 CA LEU B 35 12.877 -0.666 -3.498 1.00 0.00 C ATOM 2041 C LEU B 35 12.192 0.695 -3.339 1.00 0.00 C ATOM 2042 O LEU B 35 11.644 1.238 -4.278 1.00 0.00 O ATOM 2043 CB LEU B 35 12.024 -1.751 -2.835 1.00 0.00 C ATOM 2044 CG LEU B 35 11.206 -2.480 -3.903 1.00 0.00 C ATOM 2045 CD1 LEU B 35 10.516 -1.454 -4.802 1.00 0.00 C ATOM 2046 CD2 LEU B 35 12.133 -3.356 -4.747 1.00 0.00 C ATOM 0 H LEU B 35 14.387 -1.402 -2.190 1.00 0.00 H new ATOM 0 HA LEU B 35 12.995 -0.885 -4.559 1.00 0.00 H new ATOM 0 HB2 LEU B 35 12.663 -2.458 -2.305 1.00 0.00 H new ATOM 0 HB3 LEU B 35 11.360 -1.305 -2.095 1.00 0.00 H new ATOM 0 HG LEU B 35 10.455 -3.106 -3.422 1.00 0.00 H new ATOM 0 HD11 LEU B 35 9.933 -1.971 -5.564 1.00 0.00 H new ATOM 0 HD12 LEU B 35 9.855 -0.830 -4.201 1.00 0.00 H new ATOM 0 HD13 LEU B 35 11.268 -0.828 -5.283 1.00 0.00 H new ATOM 0 HD21 LEU B 35 11.550 -3.875 -5.508 1.00 0.00 H new ATOM 0 HD22 LEU B 35 12.885 -2.731 -5.229 1.00 0.00 H new ATOM 0 HD23 LEU B 35 12.626 -4.087 -4.106 1.00 0.00 H new ATOM 2058 N ILE B 36 12.215 1.248 -2.156 1.00 0.00 N ATOM 2059 CA ILE B 36 11.562 2.570 -1.932 1.00 0.00 C ATOM 2060 C ILE B 36 12.482 3.697 -2.407 1.00 0.00 C ATOM 2061 O ILE B 36 12.090 4.550 -3.172 1.00 0.00 O ATOM 2062 CB ILE B 36 11.286 2.758 -0.438 1.00 0.00 C ATOM 2063 CG1 ILE B 36 10.966 1.391 0.195 1.00 0.00 C ATOM 2064 CG2 ILE B 36 10.116 3.727 -0.263 1.00 0.00 C ATOM 2065 CD1 ILE B 36 9.961 1.543 1.344 1.00 0.00 C ATOM 0 H ILE B 36 12.659 0.840 -1.333 1.00 0.00 H new ATOM 0 HA ILE B 36 10.628 2.600 -2.493 1.00 0.00 H new ATOM 0 HB ILE B 36 12.162 3.174 0.060 1.00 0.00 H new ATOM 0 HG12 ILE B 36 10.560 0.721 -0.563 1.00 0.00 H new ATOM 0 HG13 ILE B 36 11.883 0.934 0.566 1.00 0.00 H new ATOM 0 HG21 ILE B 36 9.914 3.865 0.799 1.00 0.00 H new ATOM 0 HG22 ILE B 36 10.369 4.687 -0.713 1.00 0.00 H new ATOM 0 HG23 ILE B 36 9.230 3.320 -0.751 1.00 0.00 H new ATOM 0 HD11 ILE B 36 9.751 0.564 1.775 1.00 0.00 H new ATOM 0 HD12 ILE B 36 10.380 2.195 2.110 1.00 0.00 H new ATOM 0 HD13 ILE B 36 9.037 1.978 0.964 1.00 0.00 H new ATOM 2077 N ASN B 37 13.695 3.713 -1.937 1.00 0.00 N ATOM 2078 CA ASN B 37 14.647 4.795 -2.330 1.00 0.00 C ATOM 2079 C ASN B 37 14.985 4.723 -3.824 1.00 0.00 C ATOM 2080 O ASN B 37 15.719 5.546 -4.334 1.00 0.00 O ATOM 2081 CB ASN B 37 15.932 4.650 -1.515 1.00 0.00 C ATOM 2082 CG ASN B 37 16.777 5.916 -1.662 1.00 0.00 C ATOM 2083 OD1 ASN B 37 17.656 5.980 -2.498 1.00 0.00 O ATOM 2084 ND2 ASN B 37 16.546 6.934 -0.880 1.00 0.00 N ATOM 0 H ASN B 37 14.074 3.020 -1.292 1.00 0.00 H new ATOM 0 HA ASN B 37 14.176 5.758 -2.132 1.00 0.00 H new ATOM 0 HB2 ASN B 37 15.692 4.480 -0.465 1.00 0.00 H new ATOM 0 HB3 ASN B 37 16.496 3.782 -1.857 1.00 0.00 H new ATOM 0 HD21 ASN B 37 17.103 7.783 -0.971 1.00 0.00 H new ATOM 0 HD22 ASN B 37 15.808 6.881 -0.178 1.00 0.00 H new ATOM 2091 N ASN B 38 14.471 3.756 -4.533 1.00 0.00 N ATOM 2092 CA ASN B 38 14.788 3.662 -5.985 1.00 0.00 C ATOM 2093 C ASN B 38 13.554 4.029 -6.812 1.00 0.00 C ATOM 2094 O ASN B 38 13.592 4.922 -7.637 1.00 0.00 O ATOM 2095 CB ASN B 38 15.222 2.233 -6.317 1.00 0.00 C ATOM 2096 CG ASN B 38 15.901 2.213 -7.685 1.00 0.00 C ATOM 2097 OD1 ASN B 38 16.925 2.839 -7.877 1.00 0.00 O ATOM 2098 ND2 ASN B 38 15.372 1.515 -8.651 1.00 0.00 N ATOM 0 H ASN B 38 13.850 3.032 -4.173 1.00 0.00 H new ATOM 0 HA ASN B 38 15.595 4.354 -6.224 1.00 0.00 H new ATOM 0 HB2 ASN B 38 15.906 1.863 -5.554 1.00 0.00 H new ATOM 0 HB3 ASN B 38 14.357 1.570 -6.318 1.00 0.00 H new ATOM 0 HD21 ASN B 38 15.818 1.494 -9.568 1.00 0.00 H new ATOM 0 HD22 ASN B 38 14.513 0.990 -8.489 1.00 0.00 H new ATOM 2105 N GLU B 39 12.462 3.344 -6.608 1.00 0.00 N ATOM 2106 CA GLU B 39 11.232 3.652 -7.391 1.00 0.00 C ATOM 2107 C GLU B 39 10.226 4.404 -6.513 1.00 0.00 C ATOM 2108 O GLU B 39 9.032 4.337 -6.728 1.00 0.00 O ATOM 2109 CB GLU B 39 10.603 2.344 -7.879 1.00 0.00 C ATOM 2110 CG GLU B 39 11.600 1.598 -8.767 1.00 0.00 C ATOM 2111 CD GLU B 39 11.728 0.150 -8.289 1.00 0.00 C ATOM 2112 OE1 GLU B 39 12.240 -0.049 -7.200 1.00 0.00 O ATOM 2113 OE2 GLU B 39 11.313 -0.735 -9.019 1.00 0.00 O ATOM 0 H GLU B 39 12.369 2.585 -5.933 1.00 0.00 H new ATOM 0 HA GLU B 39 11.497 4.276 -8.244 1.00 0.00 H new ATOM 0 HB2 GLU B 39 10.323 1.723 -7.028 1.00 0.00 H new ATOM 0 HB3 GLU B 39 9.690 2.553 -8.436 1.00 0.00 H new ATOM 0 HG2 GLU B 39 11.267 1.621 -9.805 1.00 0.00 H new ATOM 0 HG3 GLU B 39 12.572 2.090 -8.733 1.00 0.00 H new ATOM 2120 N LEU B 40 10.696 5.120 -5.526 1.00 0.00 N ATOM 2121 CA LEU B 40 9.757 5.872 -4.641 1.00 0.00 C ATOM 2122 C LEU B 40 10.417 7.163 -4.135 1.00 0.00 C ATOM 2123 O LEU B 40 9.755 8.152 -3.895 1.00 0.00 O ATOM 2124 CB LEU B 40 9.373 5.000 -3.447 1.00 0.00 C ATOM 2125 CG LEU B 40 8.051 5.492 -2.866 1.00 0.00 C ATOM 2126 CD1 LEU B 40 6.984 4.414 -3.052 1.00 0.00 C ATOM 2127 CD2 LEU B 40 8.231 5.782 -1.376 1.00 0.00 C ATOM 0 H LEU B 40 11.685 5.217 -5.295 1.00 0.00 H new ATOM 0 HA LEU B 40 8.866 6.130 -5.213 1.00 0.00 H new ATOM 0 HB2 LEU B 40 9.282 3.959 -3.757 1.00 0.00 H new ATOM 0 HB3 LEU B 40 10.154 5.039 -2.688 1.00 0.00 H new ATOM 0 HG LEU B 40 7.740 6.402 -3.379 1.00 0.00 H new ATOM 0 HD11 LEU B 40 6.038 4.763 -2.638 1.00 0.00 H new ATOM 0 HD12 LEU B 40 6.860 4.205 -4.114 1.00 0.00 H new ATOM 0 HD13 LEU B 40 7.292 3.504 -2.537 1.00 0.00 H new ATOM 0 HD21 LEU B 40 7.288 6.134 -0.957 1.00 0.00 H new ATOM 0 HD22 LEU B 40 8.538 4.871 -0.863 1.00 0.00 H new ATOM 0 HD23 LEU B 40 8.995 6.548 -1.244 1.00 0.00 H new ATOM 2139 N SER B 41 11.711 7.162 -3.967 1.00 0.00 N ATOM 2140 CA SER B 41 12.412 8.385 -3.474 1.00 0.00 C ATOM 2141 C SER B 41 12.170 9.561 -4.426 1.00 0.00 C ATOM 2142 O SER B 41 12.502 10.689 -4.122 1.00 0.00 O ATOM 2143 CB SER B 41 13.911 8.107 -3.387 1.00 0.00 C ATOM 2144 OG SER B 41 14.628 9.298 -3.685 1.00 0.00 O ATOM 0 H SER B 41 12.318 6.363 -4.151 1.00 0.00 H new ATOM 0 HA SER B 41 12.022 8.642 -2.489 1.00 0.00 H new ATOM 0 HB2 SER B 41 14.170 7.753 -2.389 1.00 0.00 H new ATOM 0 HB3 SER B 41 14.187 7.318 -4.086 1.00 0.00 H new ATOM 0 HG SER B 41 15.591 9.123 -3.629 1.00 0.00 H new ATOM 2150 N HIS B 42 11.602 9.316 -5.577 1.00 0.00 N ATOM 2151 CA HIS B 42 11.351 10.436 -6.526 1.00 0.00 C ATOM 2152 C HIS B 42 10.433 11.466 -5.864 1.00 0.00 C ATOM 2153 O HIS B 42 10.405 12.621 -6.241 1.00 0.00 O ATOM 2154 CB HIS B 42 10.676 9.893 -7.789 1.00 0.00 C ATOM 2155 CG HIS B 42 10.676 10.957 -8.850 1.00 0.00 C ATOM 2156 ND1 HIS B 42 9.548 11.259 -9.596 1.00 0.00 N ATOM 2157 CD2 HIS B 42 11.660 11.804 -9.299 1.00 0.00 C ATOM 2158 CE1 HIS B 42 9.877 12.251 -10.445 1.00 0.00 C ATOM 2159 NE2 HIS B 42 11.154 12.618 -10.306 1.00 0.00 N ATOM 0 H HIS B 42 11.303 8.395 -5.898 1.00 0.00 H new ATOM 0 HA HIS B 42 12.298 10.907 -6.792 1.00 0.00 H new ATOM 0 HB2 HIS B 42 11.204 9.008 -8.145 1.00 0.00 H new ATOM 0 HB3 HIS B 42 9.654 9.586 -7.566 1.00 0.00 H new ATOM 0 HD2 HIS B 42 12.673 11.833 -8.926 1.00 0.00 H new ATOM 0 HE1 HIS B 42 9.192 12.696 -11.152 1.00 0.00 H new ATOM 0 HE2 HIS B 42 11.651 13.340 -10.827 1.00 0.00 H new ATOM 2167 N PHE B 43 9.680 11.057 -4.880 1.00 0.00 N ATOM 2168 CA PHE B 43 8.765 12.012 -4.196 1.00 0.00 C ATOM 2169 C PHE B 43 9.442 12.567 -2.940 1.00 0.00 C ATOM 2170 O PHE B 43 8.996 13.538 -2.361 1.00 0.00 O ATOM 2171 CB PHE B 43 7.476 11.288 -3.804 1.00 0.00 C ATOM 2172 CG PHE B 43 6.732 10.871 -5.049 1.00 0.00 C ATOM 2173 CD1 PHE B 43 5.977 11.810 -5.758 1.00 0.00 C ATOM 2174 CD2 PHE B 43 6.802 9.545 -5.498 1.00 0.00 C ATOM 2175 CE1 PHE B 43 5.290 11.428 -6.916 1.00 0.00 C ATOM 2176 CE2 PHE B 43 6.116 9.161 -6.656 1.00 0.00 C ATOM 2177 CZ PHE B 43 5.361 10.102 -7.366 1.00 0.00 C ATOM 0 H PHE B 43 9.659 10.103 -4.521 1.00 0.00 H new ATOM 0 HA PHE B 43 8.531 12.835 -4.871 1.00 0.00 H new ATOM 0 HB2 PHE B 43 7.708 10.413 -3.197 1.00 0.00 H new ATOM 0 HB3 PHE B 43 6.850 11.941 -3.196 1.00 0.00 H new ATOM 0 HD1 PHE B 43 5.924 12.832 -5.412 1.00 0.00 H new ATOM 0 HD2 PHE B 43 7.385 8.820 -4.950 1.00 0.00 H new ATOM 0 HE1 PHE B 43 4.706 12.154 -7.462 1.00 0.00 H new ATOM 0 HE2 PHE B 43 6.169 8.139 -7.002 1.00 0.00 H new ATOM 0 HZ PHE B 43 4.833 9.807 -8.261 1.00 0.00 H new ATOM 2187 N LEU B 44 10.514 11.959 -2.514 1.00 0.00 N ATOM 2188 CA LEU B 44 11.220 12.452 -1.297 1.00 0.00 C ATOM 2189 C LEU B 44 11.782 13.851 -1.563 1.00 0.00 C ATOM 2190 O LEU B 44 12.420 14.092 -2.567 1.00 0.00 O ATOM 2191 CB LEU B 44 12.367 11.501 -0.948 1.00 0.00 C ATOM 2192 CG LEU B 44 11.937 10.574 0.190 1.00 0.00 C ATOM 2193 CD1 LEU B 44 11.869 11.365 1.498 1.00 0.00 C ATOM 2194 CD2 LEU B 44 10.558 9.987 -0.123 1.00 0.00 C ATOM 0 H LEU B 44 10.933 11.141 -2.956 1.00 0.00 H new ATOM 0 HA LEU B 44 10.518 12.494 -0.465 1.00 0.00 H new ATOM 0 HB2 LEU B 44 12.645 10.914 -1.823 1.00 0.00 H new ATOM 0 HB3 LEU B 44 13.248 12.071 -0.653 1.00 0.00 H new ATOM 0 HG LEU B 44 12.662 9.766 0.292 1.00 0.00 H new ATOM 0 HD11 LEU B 44 11.562 10.703 2.308 1.00 0.00 H new ATOM 0 HD12 LEU B 44 12.851 11.782 1.722 1.00 0.00 H new ATOM 0 HD13 LEU B 44 11.145 12.174 1.397 1.00 0.00 H new ATOM 0 HD21 LEU B 44 10.251 9.326 0.688 1.00 0.00 H new ATOM 0 HD22 LEU B 44 9.834 10.795 -0.227 1.00 0.00 H new ATOM 0 HD23 LEU B 44 10.606 9.421 -1.053 1.00 0.00 H new ATOM 2206 N GLU B 45 11.551 14.776 -0.670 1.00 0.00 N ATOM 2207 CA GLU B 45 12.074 16.156 -0.874 1.00 0.00 C ATOM 2208 C GLU B 45 11.674 17.038 0.311 1.00 0.00 C ATOM 2209 O GLU B 45 12.418 17.900 0.736 1.00 0.00 O ATOM 2210 CB GLU B 45 11.493 16.737 -2.165 1.00 0.00 C ATOM 2211 CG GLU B 45 10.068 16.219 -2.360 1.00 0.00 C ATOM 2212 CD GLU B 45 9.286 17.196 -3.239 1.00 0.00 C ATOM 2213 OE1 GLU B 45 8.961 18.269 -2.755 1.00 0.00 O ATOM 2214 OE2 GLU B 45 9.026 16.856 -4.380 1.00 0.00 O ATOM 0 H GLU B 45 11.023 14.635 0.191 1.00 0.00 H new ATOM 0 HA GLU B 45 13.161 16.123 -0.948 1.00 0.00 H new ATOM 0 HB2 GLU B 45 11.492 17.826 -2.118 1.00 0.00 H new ATOM 0 HB3 GLU B 45 12.114 16.455 -3.015 1.00 0.00 H new ATOM 0 HG2 GLU B 45 10.088 15.233 -2.823 1.00 0.00 H new ATOM 0 HG3 GLU B 45 9.575 16.107 -1.394 1.00 0.00 H new ATOM 2221 N GLU B 46 10.505 16.829 0.849 1.00 0.00 N ATOM 2222 CA GLU B 46 10.064 17.660 2.008 1.00 0.00 C ATOM 2223 C GLU B 46 9.773 16.758 3.211 1.00 0.00 C ATOM 2224 O GLU B 46 10.190 17.035 4.317 1.00 0.00 O ATOM 2225 CB GLU B 46 8.803 18.446 1.635 1.00 0.00 C ATOM 2226 CG GLU B 46 7.985 17.665 0.601 1.00 0.00 C ATOM 2227 CD GLU B 46 6.540 18.165 0.616 1.00 0.00 C ATOM 2228 OE1 GLU B 46 6.275 19.130 1.315 1.00 0.00 O ATOM 2229 OE2 GLU B 46 5.723 17.574 -0.071 1.00 0.00 O ATOM 0 H GLU B 46 9.837 16.123 0.539 1.00 0.00 H new ATOM 0 HA GLU B 46 10.858 18.360 2.267 1.00 0.00 H new ATOM 0 HB2 GLU B 46 8.201 18.627 2.525 1.00 0.00 H new ATOM 0 HB3 GLU B 46 9.078 19.421 1.232 1.00 0.00 H new ATOM 0 HG2 GLU B 46 8.416 17.793 -0.392 1.00 0.00 H new ATOM 0 HG3 GLU B 46 8.015 16.599 0.827 1.00 0.00 H new ATOM 2236 N ILE B 47 9.062 15.680 3.006 1.00 0.00 N ATOM 2237 CA ILE B 47 8.750 14.765 4.140 1.00 0.00 C ATOM 2238 C ILE B 47 7.792 15.453 5.114 1.00 0.00 C ATOM 2239 O ILE B 47 8.065 16.524 5.619 1.00 0.00 O ATOM 2240 CB ILE B 47 10.041 14.398 4.874 1.00 0.00 C ATOM 2241 CG1 ILE B 47 11.114 14.010 3.855 1.00 0.00 C ATOM 2242 CG2 ILE B 47 9.777 13.217 5.809 1.00 0.00 C ATOM 2243 CD1 ILE B 47 12.499 14.269 4.448 1.00 0.00 C ATOM 0 H ILE B 47 8.685 15.395 2.102 1.00 0.00 H new ATOM 0 HA ILE B 47 8.282 13.861 3.750 1.00 0.00 H new ATOM 0 HB ILE B 47 10.384 15.254 5.456 1.00 0.00 H new ATOM 0 HG12 ILE B 47 11.013 12.958 3.587 1.00 0.00 H new ATOM 0 HG13 ILE B 47 10.986 14.586 2.939 1.00 0.00 H new ATOM 0 HG21 ILE B 47 10.696 12.955 6.332 1.00 0.00 H new ATOM 0 HG22 ILE B 47 9.012 13.492 6.535 1.00 0.00 H new ATOM 0 HG23 ILE B 47 9.434 12.362 5.227 1.00 0.00 H new ATOM 0 HD11 ILE B 47 13.263 13.992 3.722 1.00 0.00 H new ATOM 0 HD12 ILE B 47 12.598 15.326 4.694 1.00 0.00 H new ATOM 0 HD13 ILE B 47 12.625 13.673 5.352 1.00 0.00 H new ATOM 2255 N LYS B 48 6.671 14.841 5.385 1.00 0.00 N ATOM 2256 CA LYS B 48 5.696 15.452 6.331 1.00 0.00 C ATOM 2257 C LYS B 48 5.691 14.650 7.631 1.00 0.00 C ATOM 2258 O LYS B 48 5.647 15.203 8.713 1.00 0.00 O ATOM 2259 CB LYS B 48 4.299 15.426 5.709 1.00 0.00 C ATOM 2260 CG LYS B 48 3.995 16.788 5.082 1.00 0.00 C ATOM 2261 CD LYS B 48 2.622 16.743 4.408 1.00 0.00 C ATOM 2262 CE LYS B 48 2.098 18.168 4.221 1.00 0.00 C ATOM 2263 NZ LYS B 48 0.613 18.169 4.342 1.00 0.00 N ATOM 0 H LYS B 48 6.389 13.943 4.991 1.00 0.00 H new ATOM 0 HA LYS B 48 5.980 16.484 6.538 1.00 0.00 H new ATOM 0 HB2 LYS B 48 4.241 14.644 4.952 1.00 0.00 H new ATOM 0 HB3 LYS B 48 3.555 15.189 6.470 1.00 0.00 H new ATOM 0 HG2 LYS B 48 4.011 17.564 5.847 1.00 0.00 H new ATOM 0 HG3 LYS B 48 4.763 17.044 4.352 1.00 0.00 H new ATOM 0 HD2 LYS B 48 2.695 16.242 3.443 1.00 0.00 H new ATOM 0 HD3 LYS B 48 1.926 16.165 5.016 1.00 0.00 H new ATOM 0 HE2 LYS B 48 2.535 18.829 4.969 1.00 0.00 H new ATOM 0 HE3 LYS B 48 2.395 18.551 3.245 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 0.255 19.137 4.215 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 0.205 17.551 3.612 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 0.341 17.820 5.283 1.00 0.00 H new ATOM 2277 N GLU B 49 5.740 13.349 7.536 1.00 0.00 N ATOM 2278 CA GLU B 49 5.744 12.509 8.765 1.00 0.00 C ATOM 2279 C GLU B 49 7.178 12.076 9.074 1.00 0.00 C ATOM 2280 O GLU B 49 7.624 11.028 8.651 1.00 0.00 O ATOM 2281 CB GLU B 49 4.874 11.270 8.544 1.00 0.00 C ATOM 2282 CG GLU B 49 3.630 11.355 9.430 1.00 0.00 C ATOM 2283 CD GLU B 49 4.055 11.506 10.892 1.00 0.00 C ATOM 2284 OE1 GLU B 49 5.149 11.077 11.218 1.00 0.00 O ATOM 2285 OE2 GLU B 49 3.279 12.049 11.660 1.00 0.00 O ATOM 0 H GLU B 49 5.777 12.832 6.658 1.00 0.00 H new ATOM 0 HA GLU B 49 5.345 13.084 9.601 1.00 0.00 H new ATOM 0 HB2 GLU B 49 4.583 11.199 7.496 1.00 0.00 H new ATOM 0 HB3 GLU B 49 5.440 10.369 8.779 1.00 0.00 H new ATOM 0 HG2 GLU B 49 3.014 12.203 9.130 1.00 0.00 H new ATOM 0 HG3 GLU B 49 3.021 10.459 9.308 1.00 0.00 H new ATOM 2292 N GLN B 50 7.905 12.878 9.802 1.00 0.00 N ATOM 2293 CA GLN B 50 9.312 12.517 10.132 1.00 0.00 C ATOM 2294 C GLN B 50 9.341 11.196 10.905 1.00 0.00 C ATOM 2295 O GLN B 50 10.331 10.496 10.910 1.00 0.00 O ATOM 2296 CB GLN B 50 9.933 13.624 10.989 1.00 0.00 C ATOM 2297 CG GLN B 50 11.405 13.305 11.253 1.00 0.00 C ATOM 2298 CD GLN B 50 12.276 14.009 10.212 1.00 0.00 C ATOM 2299 OE1 GLN B 50 11.811 14.342 9.141 1.00 0.00 O ATOM 2300 NE2 GLN B 50 13.529 14.253 10.484 1.00 0.00 N ATOM 0 H GLN B 50 7.585 13.768 10.183 1.00 0.00 H new ATOM 0 HA GLN B 50 9.881 12.405 9.209 1.00 0.00 H new ATOM 0 HB2 GLN B 50 9.844 14.584 10.481 1.00 0.00 H new ATOM 0 HB3 GLN B 50 9.395 13.712 11.933 1.00 0.00 H new ATOM 0 HG2 GLN B 50 11.684 13.630 12.255 1.00 0.00 H new ATOM 0 HG3 GLN B 50 11.568 12.228 11.210 1.00 0.00 H new ATOM 0 HE21 GLN B 50 13.919 13.973 11.384 1.00 0.00 H new ATOM 0 HE22 GLN B 50 14.118 14.724 9.797 1.00 0.00 H new ATOM 2309 N GLU B 51 8.267 10.852 11.561 1.00 0.00 N ATOM 2310 CA GLU B 51 8.246 9.577 12.335 1.00 0.00 C ATOM 2311 C GLU B 51 7.991 8.399 11.391 1.00 0.00 C ATOM 2312 O GLU B 51 8.514 7.319 11.579 1.00 0.00 O ATOM 2313 CB GLU B 51 7.138 9.634 13.387 1.00 0.00 C ATOM 2314 CG GLU B 51 7.546 10.595 14.507 1.00 0.00 C ATOM 2315 CD GLU B 51 6.296 11.091 15.233 1.00 0.00 C ATOM 2316 OE1 GLU B 51 5.493 10.258 15.624 1.00 0.00 O ATOM 2317 OE2 GLU B 51 6.161 12.294 15.386 1.00 0.00 O ATOM 0 H GLU B 51 7.405 11.396 11.595 1.00 0.00 H new ATOM 0 HA GLU B 51 9.210 9.442 12.826 1.00 0.00 H new ATOM 0 HB2 GLU B 51 6.205 9.966 12.931 1.00 0.00 H new ATOM 0 HB3 GLU B 51 6.957 8.639 13.795 1.00 0.00 H new ATOM 0 HG2 GLU B 51 8.211 10.091 15.208 1.00 0.00 H new ATOM 0 HG3 GLU B 51 8.098 11.439 14.094 1.00 0.00 H new ATOM 2324 N VAL B 52 7.189 8.593 10.381 1.00 0.00 N ATOM 2325 CA VAL B 52 6.905 7.476 9.435 1.00 0.00 C ATOM 2326 C VAL B 52 8.167 7.149 8.638 1.00 0.00 C ATOM 2327 O VAL B 52 8.605 6.017 8.589 1.00 0.00 O ATOM 2328 CB VAL B 52 5.796 7.893 8.473 1.00 0.00 C ATOM 2329 CG1 VAL B 52 5.614 6.818 7.399 1.00 0.00 C ATOM 2330 CG2 VAL B 52 4.488 8.062 9.244 1.00 0.00 C ATOM 0 H VAL B 52 6.719 9.473 10.170 1.00 0.00 H new ATOM 0 HA VAL B 52 6.590 6.597 9.998 1.00 0.00 H new ATOM 0 HB VAL B 52 6.067 8.837 8.000 1.00 0.00 H new ATOM 0 HG11 VAL B 52 4.821 7.119 6.714 1.00 0.00 H new ATOM 0 HG12 VAL B 52 6.545 6.695 6.846 1.00 0.00 H new ATOM 0 HG13 VAL B 52 5.346 5.873 7.872 1.00 0.00 H new ATOM 0 HG21 VAL B 52 3.696 8.360 8.557 1.00 0.00 H new ATOM 0 HG22 VAL B 52 4.221 7.118 9.718 1.00 0.00 H new ATOM 0 HG23 VAL B 52 4.613 8.829 10.008 1.00 0.00 H new ATOM 2340 N VAL B 53 8.753 8.130 8.008 1.00 0.00 N ATOM 2341 CA VAL B 53 9.982 7.867 7.212 1.00 0.00 C ATOM 2342 C VAL B 53 11.140 7.543 8.155 1.00 0.00 C ATOM 2343 O VAL B 53 12.032 6.790 7.818 1.00 0.00 O ATOM 2344 CB VAL B 53 10.330 9.102 6.380 1.00 0.00 C ATOM 2345 CG1 VAL B 53 11.734 8.945 5.794 1.00 0.00 C ATOM 2346 CG2 VAL B 53 9.318 9.250 5.241 1.00 0.00 C ATOM 0 H VAL B 53 8.434 9.099 8.011 1.00 0.00 H new ATOM 0 HA VAL B 53 9.808 7.022 6.546 1.00 0.00 H new ATOM 0 HB VAL B 53 10.298 9.988 7.015 1.00 0.00 H new ATOM 0 HG11 VAL B 53 11.981 9.826 5.201 1.00 0.00 H new ATOM 0 HG12 VAL B 53 12.456 8.838 6.603 1.00 0.00 H new ATOM 0 HG13 VAL B 53 11.766 8.059 5.159 1.00 0.00 H new ATOM 0 HG21 VAL B 53 9.565 10.130 4.647 1.00 0.00 H new ATOM 0 HG22 VAL B 53 9.351 8.364 4.607 1.00 0.00 H new ATOM 0 HG23 VAL B 53 8.316 9.362 5.656 1.00 0.00 H new ATOM 2356 N ASP B 54 11.136 8.098 9.334 1.00 0.00 N ATOM 2357 CA ASP B 54 12.236 7.808 10.291 1.00 0.00 C ATOM 2358 C ASP B 54 12.017 6.423 10.897 1.00 0.00 C ATOM 2359 O ASP B 54 12.935 5.795 11.381 1.00 0.00 O ATOM 2360 CB ASP B 54 12.242 8.860 11.404 1.00 0.00 C ATOM 2361 CG ASP B 54 13.322 8.514 12.430 1.00 0.00 C ATOM 2362 OD1 ASP B 54 14.375 8.056 12.020 1.00 0.00 O ATOM 2363 OD2 ASP B 54 13.075 8.710 13.608 1.00 0.00 O ATOM 0 H ASP B 54 10.419 8.739 9.675 1.00 0.00 H new ATOM 0 HA ASP B 54 13.193 7.835 9.769 1.00 0.00 H new ATOM 0 HB2 ASP B 54 12.429 9.848 10.983 1.00 0.00 H new ATOM 0 HB3 ASP B 54 11.266 8.899 11.887 1.00 0.00 H new ATOM 2368 N LYS B 55 10.803 5.943 10.871 1.00 0.00 N ATOM 2369 CA LYS B 55 10.521 4.596 11.441 1.00 0.00 C ATOM 2370 C LYS B 55 10.907 3.518 10.429 1.00 0.00 C ATOM 2371 O LYS B 55 11.606 2.578 10.750 1.00 0.00 O ATOM 2372 CB LYS B 55 9.031 4.479 11.768 1.00 0.00 C ATOM 2373 CG LYS B 55 8.823 4.659 13.273 1.00 0.00 C ATOM 2374 CD LYS B 55 7.382 5.100 13.538 1.00 0.00 C ATOM 2375 CE LYS B 55 6.668 4.037 14.375 1.00 0.00 C ATOM 2376 NZ LYS B 55 5.249 4.438 14.578 1.00 0.00 N ATOM 0 H LYS B 55 9.995 6.426 10.479 1.00 0.00 H new ATOM 0 HA LYS B 55 11.104 4.462 12.352 1.00 0.00 H new ATOM 0 HB2 LYS B 55 8.467 5.233 11.219 1.00 0.00 H new ATOM 0 HB3 LYS B 55 8.654 3.507 11.452 1.00 0.00 H new ATOM 0 HG2 LYS B 55 9.031 3.724 13.794 1.00 0.00 H new ATOM 0 HG3 LYS B 55 9.520 5.402 13.661 1.00 0.00 H new ATOM 0 HD2 LYS B 55 7.374 6.056 14.061 1.00 0.00 H new ATOM 0 HD3 LYS B 55 6.857 5.248 12.595 1.00 0.00 H new ATOM 0 HE2 LYS B 55 6.716 3.071 13.873 1.00 0.00 H new ATOM 0 HE3 LYS B 55 7.166 3.921 15.338 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 4.762 3.716 15.147 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 5.214 5.351 15.074 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 4.778 4.527 13.655 1.00 0.00 H new ATOM 2390 N VAL B 56 10.461 3.641 9.209 1.00 0.00 N ATOM 2391 CA VAL B 56 10.810 2.621 8.189 1.00 0.00 C ATOM 2392 C VAL B 56 12.295 2.738 7.862 1.00 0.00 C ATOM 2393 O VAL B 56 13.012 1.758 7.817 1.00 0.00 O ATOM 2394 CB VAL B 56 9.982 2.867 6.929 1.00 0.00 C ATOM 2395 CG1 VAL B 56 8.498 2.697 7.252 1.00 0.00 C ATOM 2396 CG2 VAL B 56 10.230 4.290 6.420 1.00 0.00 C ATOM 0 H VAL B 56 9.871 4.404 8.878 1.00 0.00 H new ATOM 0 HA VAL B 56 10.598 1.622 8.569 1.00 0.00 H new ATOM 0 HB VAL B 56 10.273 2.150 6.161 1.00 0.00 H new ATOM 0 HG11 VAL B 56 7.907 2.873 6.353 1.00 0.00 H new ATOM 0 HG12 VAL B 56 8.318 1.684 7.612 1.00 0.00 H new ATOM 0 HG13 VAL B 56 8.209 3.413 8.021 1.00 0.00 H new ATOM 0 HG21 VAL B 56 9.638 4.463 5.521 1.00 0.00 H new ATOM 0 HG22 VAL B 56 9.941 5.007 7.188 1.00 0.00 H new ATOM 0 HG23 VAL B 56 11.288 4.414 6.188 1.00 0.00 H new ATOM 2406 N MET B 57 12.762 3.933 7.646 1.00 0.00 N ATOM 2407 CA MET B 57 14.202 4.129 7.339 1.00 0.00 C ATOM 2408 C MET B 57 15.026 3.685 8.544 1.00 0.00 C ATOM 2409 O MET B 57 16.181 3.335 8.425 1.00 0.00 O ATOM 2410 CB MET B 57 14.457 5.612 7.071 1.00 0.00 C ATOM 2411 CG MET B 57 15.860 5.797 6.497 1.00 0.00 C ATOM 2412 SD MET B 57 16.019 4.838 4.969 1.00 0.00 S ATOM 2413 CE MET B 57 14.424 5.292 4.245 1.00 0.00 C ATOM 0 H MET B 57 12.205 4.787 7.669 1.00 0.00 H new ATOM 0 HA MET B 57 14.482 3.545 6.463 1.00 0.00 H new ATOM 0 HB2 MET B 57 13.714 5.998 6.373 1.00 0.00 H new ATOM 0 HB3 MET B 57 14.353 6.182 7.995 1.00 0.00 H new ATOM 0 HG2 MET B 57 16.047 6.852 6.298 1.00 0.00 H new ATOM 0 HG3 MET B 57 16.607 5.473 7.222 1.00 0.00 H new ATOM 0 HE1 MET B 57 14.442 5.096 3.173 1.00 0.00 H new ATOM 0 HE2 MET B 57 13.633 4.702 4.708 1.00 0.00 H new ATOM 0 HE3 MET B 57 14.235 6.352 4.417 1.00 0.00 H new ATOM 2423 N GLU B 58 14.437 3.697 9.709 1.00 0.00 N ATOM 2424 CA GLU B 58 15.188 3.272 10.924 1.00 0.00 C ATOM 2425 C GLU B 58 15.339 1.750 10.919 1.00 0.00 C ATOM 2426 O GLU B 58 16.434 1.228 10.957 1.00 0.00 O ATOM 2427 CB GLU B 58 14.425 3.701 12.180 1.00 0.00 C ATOM 2428 CG GLU B 58 15.001 5.017 12.708 1.00 0.00 C ATOM 2429 CD GLU B 58 14.182 5.487 13.911 1.00 0.00 C ATOM 2430 OE1 GLU B 58 13.050 5.894 13.709 1.00 0.00 O ATOM 2431 OE2 GLU B 58 14.700 5.432 15.014 1.00 0.00 O ATOM 0 H GLU B 58 13.471 3.982 9.871 1.00 0.00 H new ATOM 0 HA GLU B 58 16.172 3.740 10.922 1.00 0.00 H new ATOM 0 HB2 GLU B 58 13.366 3.822 11.951 1.00 0.00 H new ATOM 0 HB3 GLU B 58 14.499 2.928 12.944 1.00 0.00 H new ATOM 0 HG2 GLU B 58 16.043 4.880 12.996 1.00 0.00 H new ATOM 0 HG3 GLU B 58 14.983 5.774 11.924 1.00 0.00 H new ATOM 2438 N THR B 59 14.249 1.030 10.861 1.00 0.00 N ATOM 2439 CA THR B 59 14.347 -0.456 10.843 1.00 0.00 C ATOM 2440 C THR B 59 15.134 -0.874 9.605 1.00 0.00 C ATOM 2441 O THR B 59 15.726 -1.933 9.551 1.00 0.00 O ATOM 2442 CB THR B 59 12.943 -1.062 10.784 1.00 0.00 C ATOM 2443 OG1 THR B 59 11.993 -0.088 11.194 1.00 0.00 O ATOM 2444 CG2 THR B 59 12.871 -2.274 11.713 1.00 0.00 C ATOM 0 H THR B 59 13.301 1.406 10.826 1.00 0.00 H new ATOM 0 HA THR B 59 14.849 -0.808 11.744 1.00 0.00 H new ATOM 0 HB THR B 59 12.723 -1.377 9.764 1.00 0.00 H new ATOM 0 HG1 THR B 59 11.093 -0.473 11.156 1.00 0.00 H new ATOM 0 HG21 THR B 59 11.871 -2.706 11.671 1.00 0.00 H new ATOM 0 HG22 THR B 59 13.601 -3.019 11.397 1.00 0.00 H new ATOM 0 HG23 THR B 59 13.089 -1.963 12.735 1.00 0.00 H new ATOM 2452 N LEU B 60 15.141 -0.033 8.611 1.00 0.00 N ATOM 2453 CA LEU B 60 15.882 -0.340 7.362 1.00 0.00 C ATOM 2454 C LEU B 60 17.387 -0.279 7.632 1.00 0.00 C ATOM 2455 O LEU B 60 18.118 -1.207 7.351 1.00 0.00 O ATOM 2456 CB LEU B 60 15.511 0.703 6.307 1.00 0.00 C ATOM 2457 CG LEU B 60 14.333 0.194 5.478 1.00 0.00 C ATOM 2458 CD1 LEU B 60 13.908 1.271 4.481 1.00 0.00 C ATOM 2459 CD2 LEU B 60 14.750 -1.070 4.721 1.00 0.00 C ATOM 0 H LEU B 60 14.658 0.865 8.613 1.00 0.00 H new ATOM 0 HA LEU B 60 15.622 -1.338 7.009 1.00 0.00 H new ATOM 0 HB2 LEU B 60 15.250 1.646 6.788 1.00 0.00 H new ATOM 0 HB3 LEU B 60 16.366 0.901 5.660 1.00 0.00 H new ATOM 0 HG LEU B 60 13.497 -0.038 6.138 1.00 0.00 H new ATOM 0 HD11 LEU B 60 13.068 0.908 3.889 1.00 0.00 H new ATOM 0 HD12 LEU B 60 13.610 2.170 5.021 1.00 0.00 H new ATOM 0 HD13 LEU B 60 14.743 1.505 3.820 1.00 0.00 H new ATOM 0 HD21 LEU B 60 13.910 -1.434 4.129 1.00 0.00 H new ATOM 0 HD22 LEU B 60 15.586 -0.839 4.061 1.00 0.00 H new ATOM 0 HD23 LEU B 60 15.051 -1.838 5.433 1.00 0.00 H new ATOM 2471 N ASP B 61 17.848 0.816 8.170 1.00 0.00 N ATOM 2472 CA ASP B 61 19.302 0.958 8.461 1.00 0.00 C ATOM 2473 C ASP B 61 19.670 0.138 9.700 1.00 0.00 C ATOM 2474 O ASP B 61 20.829 -0.038 10.015 1.00 0.00 O ATOM 2475 CB ASP B 61 19.621 2.435 8.717 1.00 0.00 C ATOM 2476 CG ASP B 61 20.947 2.796 8.050 1.00 0.00 C ATOM 2477 OD1 ASP B 61 21.865 1.996 8.129 1.00 0.00 O ATOM 2478 OD2 ASP B 61 21.025 3.868 7.471 1.00 0.00 O ATOM 0 H ASP B 61 17.277 1.623 8.422 1.00 0.00 H new ATOM 0 HA ASP B 61 19.877 0.595 7.609 1.00 0.00 H new ATOM 0 HB2 ASP B 61 18.822 3.063 8.324 1.00 0.00 H new ATOM 0 HB3 ASP B 61 19.678 2.625 9.789 1.00 0.00 H new ATOM 2483 N GLU B 62 18.694 -0.358 10.408 1.00 0.00 N ATOM 2484 CA GLU B 62 18.996 -1.159 11.628 1.00 0.00 C ATOM 2485 C GLU B 62 19.542 -2.530 11.227 1.00 0.00 C ATOM 2486 O GLU B 62 20.588 -2.949 11.681 1.00 0.00 O ATOM 2487 CB GLU B 62 17.718 -1.340 12.449 1.00 0.00 C ATOM 2488 CG GLU B 62 17.998 -0.992 13.912 1.00 0.00 C ATOM 2489 CD GLU B 62 18.288 -2.273 14.695 1.00 0.00 C ATOM 2490 OE1 GLU B 62 17.340 -2.909 15.126 1.00 0.00 O ATOM 2491 OE2 GLU B 62 19.454 -2.598 14.850 1.00 0.00 O ATOM 0 H GLU B 62 17.703 -0.244 10.196 1.00 0.00 H new ATOM 0 HA GLU B 62 19.743 -0.635 12.225 1.00 0.00 H new ATOM 0 HB2 GLU B 62 16.927 -0.700 12.057 1.00 0.00 H new ATOM 0 HB3 GLU B 62 17.365 -2.368 12.370 1.00 0.00 H new ATOM 0 HG2 GLU B 62 18.847 -0.312 13.979 1.00 0.00 H new ATOM 0 HG3 GLU B 62 17.141 -0.475 14.344 1.00 0.00 H new ATOM 2498 N ASP B 63 18.840 -3.232 10.386 1.00 0.00 N ATOM 2499 CA ASP B 63 19.314 -4.581 9.959 1.00 0.00 C ATOM 2500 C ASP B 63 19.056 -4.767 8.463 1.00 0.00 C ATOM 2501 O ASP B 63 18.426 -5.720 8.049 1.00 0.00 O ATOM 2502 CB ASP B 63 18.560 -5.656 10.741 1.00 0.00 C ATOM 2503 CG ASP B 63 19.458 -6.880 10.927 1.00 0.00 C ATOM 2504 OD1 ASP B 63 20.512 -6.731 11.523 1.00 0.00 O ATOM 2505 OD2 ASP B 63 19.076 -7.947 10.472 1.00 0.00 O ATOM 0 H ASP B 63 17.957 -2.932 9.973 1.00 0.00 H new ATOM 0 HA ASP B 63 20.383 -4.667 10.156 1.00 0.00 H new ATOM 0 HB2 ASP B 63 18.254 -5.266 11.712 1.00 0.00 H new ATOM 0 HB3 ASP B 63 17.651 -5.937 10.209 1.00 0.00 H new ATOM 2510 N GLY B 64 19.538 -3.863 7.651 1.00 0.00 N ATOM 2511 CA GLY B 64 19.321 -3.983 6.179 1.00 0.00 C ATOM 2512 C GLY B 64 19.472 -5.443 5.743 1.00 0.00 C ATOM 2513 O GLY B 64 18.882 -5.877 4.774 1.00 0.00 O ATOM 0 H GLY B 64 20.073 -3.046 7.944 1.00 0.00 H new ATOM 0 HA2 GLY B 64 18.327 -3.618 5.919 1.00 0.00 H new ATOM 0 HA3 GLY B 64 20.039 -3.360 5.646 1.00 0.00 H new ATOM 2517 N ASP B 65 20.258 -6.206 6.453 1.00 0.00 N ATOM 2518 CA ASP B 65 20.442 -7.638 6.079 1.00 0.00 C ATOM 2519 C ASP B 65 19.384 -8.488 6.785 1.00 0.00 C ATOM 2520 O ASP B 65 19.659 -9.575 7.254 1.00 0.00 O ATOM 2521 CB ASP B 65 21.836 -8.100 6.508 1.00 0.00 C ATOM 2522 CG ASP B 65 22.128 -9.477 5.907 1.00 0.00 C ATOM 2523 OD1 ASP B 65 22.463 -9.530 4.736 1.00 0.00 O ATOM 2524 OD2 ASP B 65 22.011 -10.453 6.628 1.00 0.00 O ATOM 0 H ASP B 65 20.780 -5.901 7.274 1.00 0.00 H new ATOM 0 HA ASP B 65 20.337 -7.749 5.000 1.00 0.00 H new ATOM 0 HB2 ASP B 65 22.586 -7.381 6.178 1.00 0.00 H new ATOM 0 HB3 ASP B 65 21.896 -8.146 7.595 1.00 0.00 H new ATOM 2529 N GLY B 66 18.176 -8.001 6.867 1.00 0.00 N ATOM 2530 CA GLY B 66 17.104 -8.779 7.543 1.00 0.00 C ATOM 2531 C GLY B 66 16.102 -9.288 6.505 1.00 0.00 C ATOM 2532 O GLY B 66 16.321 -9.186 5.315 1.00 0.00 O ATOM 0 H GLY B 66 17.887 -7.097 6.494 1.00 0.00 H new ATOM 0 HA2 GLY B 66 17.538 -9.619 8.086 1.00 0.00 H new ATOM 0 HA3 GLY B 66 16.596 -8.154 8.277 1.00 0.00 H new ATOM 2536 N GLU B 67 15.003 -9.837 6.946 1.00 0.00 N ATOM 2537 CA GLU B 67 13.990 -10.353 5.983 1.00 0.00 C ATOM 2538 C GLU B 67 12.636 -9.701 6.266 1.00 0.00 C ATOM 2539 O GLU B 67 12.229 -9.562 7.402 1.00 0.00 O ATOM 2540 CB GLU B 67 13.867 -11.872 6.136 1.00 0.00 C ATOM 2541 CG GLU B 67 13.462 -12.211 7.572 1.00 0.00 C ATOM 2542 CD GLU B 67 13.017 -13.674 7.644 1.00 0.00 C ATOM 2543 OE1 GLU B 67 11.847 -13.929 7.410 1.00 0.00 O ATOM 2544 OE2 GLU B 67 13.853 -14.514 7.930 1.00 0.00 O ATOM 0 H GLU B 67 14.763 -9.950 7.931 1.00 0.00 H new ATOM 0 HA GLU B 67 14.302 -10.114 4.966 1.00 0.00 H new ATOM 0 HB2 GLU B 67 13.126 -12.259 5.437 1.00 0.00 H new ATOM 0 HB3 GLU B 67 14.816 -12.350 5.892 1.00 0.00 H new ATOM 0 HG2 GLU B 67 14.300 -12.041 8.248 1.00 0.00 H new ATOM 0 HG3 GLU B 67 12.653 -11.557 7.897 1.00 0.00 H new ATOM 2551 N CYS B 68 11.932 -9.303 5.241 1.00 0.00 N ATOM 2552 CA CYS B 68 10.605 -8.665 5.452 1.00 0.00 C ATOM 2553 C CYS B 68 9.505 -9.638 5.017 1.00 0.00 C ATOM 2554 O CYS B 68 9.774 -10.682 4.458 1.00 0.00 O ATOM 2555 CB CYS B 68 10.516 -7.382 4.623 1.00 0.00 C ATOM 2556 SG CYS B 68 11.703 -6.171 5.256 1.00 0.00 S ATOM 0 H CYS B 68 12.220 -9.393 4.267 1.00 0.00 H new ATOM 0 HA CYS B 68 10.479 -8.419 6.506 1.00 0.00 H new ATOM 0 HB2 CYS B 68 10.725 -7.598 3.575 1.00 0.00 H new ATOM 0 HB3 CYS B 68 9.506 -6.976 4.670 1.00 0.00 H new ATOM 0 HG CYS B 68 11.629 -5.082 4.551 1.00 0.00 H new ATOM 2562 N ASP B 69 8.271 -9.307 5.272 1.00 0.00 N ATOM 2563 CA ASP B 69 7.162 -10.219 4.873 1.00 0.00 C ATOM 2564 C ASP B 69 6.356 -9.582 3.741 1.00 0.00 C ATOM 2565 O ASP B 69 6.700 -8.531 3.237 1.00 0.00 O ATOM 2566 CB ASP B 69 6.249 -10.467 6.075 1.00 0.00 C ATOM 2567 CG ASP B 69 7.097 -10.842 7.292 1.00 0.00 C ATOM 2568 OD1 ASP B 69 7.597 -11.954 7.320 1.00 0.00 O ATOM 2569 OD2 ASP B 69 7.233 -10.010 8.173 1.00 0.00 O ATOM 0 H ASP B 69 7.982 -8.447 5.738 1.00 0.00 H new ATOM 0 HA ASP B 69 7.578 -11.167 4.531 1.00 0.00 H new ATOM 0 HB2 ASP B 69 5.662 -9.574 6.289 1.00 0.00 H new ATOM 0 HB3 ASP B 69 5.543 -11.267 5.850 1.00 0.00 H new ATOM 2574 N PHE B 70 5.287 -10.211 3.335 1.00 0.00 N ATOM 2575 CA PHE B 70 4.464 -9.642 2.234 1.00 0.00 C ATOM 2576 C PHE B 70 3.610 -8.493 2.774 1.00 0.00 C ATOM 2577 O PHE B 70 3.437 -7.480 2.126 1.00 0.00 O ATOM 2578 CB PHE B 70 3.554 -10.728 1.656 1.00 0.00 C ATOM 2579 CG PHE B 70 2.966 -11.551 2.776 1.00 0.00 C ATOM 2580 CD1 PHE B 70 1.843 -11.087 3.471 1.00 0.00 C ATOM 2581 CD2 PHE B 70 3.542 -12.781 3.118 1.00 0.00 C ATOM 2582 CE1 PHE B 70 1.298 -11.852 4.509 1.00 0.00 C ATOM 2583 CE2 PHE B 70 2.995 -13.546 4.156 1.00 0.00 C ATOM 2584 CZ PHE B 70 1.874 -13.082 4.851 1.00 0.00 C ATOM 0 H PHE B 70 4.949 -11.094 3.719 1.00 0.00 H new ATOM 0 HA PHE B 70 5.122 -9.268 1.449 1.00 0.00 H new ATOM 0 HB2 PHE B 70 2.756 -10.273 1.069 1.00 0.00 H new ATOM 0 HB3 PHE B 70 4.121 -11.369 0.980 1.00 0.00 H new ATOM 0 HD1 PHE B 70 1.397 -10.139 3.207 1.00 0.00 H new ATOM 0 HD2 PHE B 70 4.408 -13.140 2.581 1.00 0.00 H new ATOM 0 HE1 PHE B 70 0.433 -11.493 5.047 1.00 0.00 H new ATOM 0 HE2 PHE B 70 3.439 -14.494 4.420 1.00 0.00 H new ATOM 0 HZ PHE B 70 1.452 -13.672 5.651 1.00 0.00 H new ATOM 2594 N GLN B 71 3.074 -8.640 3.955 1.00 0.00 N ATOM 2595 CA GLN B 71 2.233 -7.552 4.524 1.00 0.00 C ATOM 2596 C GLN B 71 3.135 -6.461 5.110 1.00 0.00 C ATOM 2597 O GLN B 71 2.761 -5.310 5.191 1.00 0.00 O ATOM 2598 CB GLN B 71 1.310 -8.131 5.608 1.00 0.00 C ATOM 2599 CG GLN B 71 2.034 -8.185 6.958 1.00 0.00 C ATOM 2600 CD GLN B 71 1.550 -7.033 7.842 1.00 0.00 C ATOM 2601 OE1 GLN B 71 1.588 -7.123 9.052 1.00 0.00 O ATOM 2602 NE2 GLN B 71 1.092 -5.944 7.284 1.00 0.00 N ATOM 0 H GLN B 71 3.182 -9.463 4.547 1.00 0.00 H new ATOM 0 HA GLN B 71 1.618 -7.112 3.739 1.00 0.00 H new ATOM 0 HB2 GLN B 71 0.412 -7.519 5.694 1.00 0.00 H new ATOM 0 HB3 GLN B 71 0.987 -9.132 5.322 1.00 0.00 H new ATOM 0 HG2 GLN B 71 1.842 -9.139 7.448 1.00 0.00 H new ATOM 0 HG3 GLN B 71 3.111 -8.115 6.808 1.00 0.00 H new ATOM 0 HE21 GLN B 71 1.059 -5.867 6.267 1.00 0.00 H new ATOM 0 HE22 GLN B 71 0.767 -5.171 7.865 1.00 0.00 H new ATOM 2611 N GLU B 72 4.323 -6.815 5.516 1.00 0.00 N ATOM 2612 CA GLU B 72 5.246 -5.797 6.087 1.00 0.00 C ATOM 2613 C GLU B 72 5.839 -4.967 4.950 1.00 0.00 C ATOM 2614 O GLU B 72 5.741 -3.758 4.939 1.00 0.00 O ATOM 2615 CB GLU B 72 6.372 -6.500 6.848 1.00 0.00 C ATOM 2616 CG GLU B 72 5.949 -6.715 8.300 1.00 0.00 C ATOM 2617 CD GLU B 72 7.103 -6.331 9.229 1.00 0.00 C ATOM 2618 OE1 GLU B 72 7.420 -5.154 9.293 1.00 0.00 O ATOM 2619 OE2 GLU B 72 7.651 -7.220 9.859 1.00 0.00 O ATOM 0 H GLU B 72 4.693 -7.765 5.477 1.00 0.00 H new ATOM 0 HA GLU B 72 4.700 -5.147 6.770 1.00 0.00 H new ATOM 0 HB2 GLU B 72 6.600 -7.457 6.379 1.00 0.00 H new ATOM 0 HB3 GLU B 72 7.282 -5.901 6.808 1.00 0.00 H new ATOM 0 HG2 GLU B 72 5.069 -6.113 8.527 1.00 0.00 H new ATOM 0 HG3 GLU B 72 5.671 -7.757 8.459 1.00 0.00 H new ATOM 2626 N PHE B 73 6.443 -5.606 3.987 1.00 0.00 N ATOM 2627 CA PHE B 73 7.021 -4.844 2.848 1.00 0.00 C ATOM 2628 C PHE B 73 5.901 -4.040 2.187 1.00 0.00 C ATOM 2629 O PHE B 73 6.140 -3.097 1.459 1.00 0.00 O ATOM 2630 CB PHE B 73 7.636 -5.826 1.842 1.00 0.00 C ATOM 2631 CG PHE B 73 7.784 -5.164 0.491 1.00 0.00 C ATOM 2632 CD1 PHE B 73 8.915 -4.388 0.208 1.00 0.00 C ATOM 2633 CD2 PHE B 73 6.788 -5.332 -0.478 1.00 0.00 C ATOM 2634 CE1 PHE B 73 9.048 -3.780 -1.047 1.00 0.00 C ATOM 2635 CE2 PHE B 73 6.922 -4.725 -1.730 1.00 0.00 C ATOM 2636 CZ PHE B 73 8.051 -3.949 -2.015 1.00 0.00 C ATOM 0 H PHE B 73 6.560 -6.618 3.940 1.00 0.00 H new ATOM 0 HA PHE B 73 7.800 -4.166 3.196 1.00 0.00 H new ATOM 0 HB2 PHE B 73 8.609 -6.162 2.199 1.00 0.00 H new ATOM 0 HB3 PHE B 73 7.006 -6.711 1.755 1.00 0.00 H new ATOM 0 HD1 PHE B 73 9.683 -4.259 0.956 1.00 0.00 H new ATOM 0 HD2 PHE B 73 5.916 -5.930 -0.258 1.00 0.00 H new ATOM 0 HE1 PHE B 73 9.919 -3.181 -1.268 1.00 0.00 H new ATOM 0 HE2 PHE B 73 6.154 -4.855 -2.478 1.00 0.00 H new ATOM 0 HZ PHE B 73 8.153 -3.480 -2.983 1.00 0.00 H new ATOM 2646 N MET B 74 4.675 -4.407 2.445 1.00 0.00 N ATOM 2647 CA MET B 74 3.530 -3.671 1.848 1.00 0.00 C ATOM 2648 C MET B 74 3.281 -2.403 2.641 1.00 0.00 C ATOM 2649 O MET B 74 3.407 -1.303 2.141 1.00 0.00 O ATOM 2650 CB MET B 74 2.276 -4.546 1.918 1.00 0.00 C ATOM 2651 CG MET B 74 1.516 -4.488 0.591 1.00 0.00 C ATOM 2652 SD MET B 74 2.368 -5.500 -0.641 1.00 0.00 S ATOM 2653 CE MET B 74 3.450 -4.195 -1.266 1.00 0.00 C ATOM 0 H MET B 74 4.419 -5.189 3.047 1.00 0.00 H new ATOM 0 HA MET B 74 3.758 -3.425 0.811 1.00 0.00 H new ATOM 0 HB2 MET B 74 2.554 -5.576 2.141 1.00 0.00 H new ATOM 0 HB3 MET B 74 1.632 -4.207 2.729 1.00 0.00 H new ATOM 0 HG2 MET B 74 0.496 -4.847 0.729 1.00 0.00 H new ATOM 0 HG3 MET B 74 1.447 -3.457 0.245 1.00 0.00 H new ATOM 0 HE1 MET B 74 3.646 -4.361 -2.325 1.00 0.00 H new ATOM 0 HE2 MET B 74 2.967 -3.227 -1.133 1.00 0.00 H new ATOM 0 HE3 MET B 74 4.391 -4.209 -0.717 1.00 0.00 H new ATOM 2663 N ALA B 75 2.917 -2.550 3.876 1.00 0.00 N ATOM 2664 CA ALA B 75 2.645 -1.352 4.702 1.00 0.00 C ATOM 2665 C ALA B 75 3.924 -0.523 4.830 1.00 0.00 C ATOM 2666 O ALA B 75 3.901 0.616 5.253 1.00 0.00 O ATOM 2667 CB ALA B 75 2.166 -1.784 6.088 1.00 0.00 C ATOM 0 H ALA B 75 2.796 -3.446 4.349 1.00 0.00 H new ATOM 0 HA ALA B 75 1.870 -0.749 4.228 1.00 0.00 H new ATOM 0 HB1 ALA B 75 1.966 -0.901 6.695 1.00 0.00 H new ATOM 0 HB2 ALA B 75 1.253 -2.372 5.991 1.00 0.00 H new ATOM 0 HB3 ALA B 75 2.937 -2.387 6.568 1.00 0.00 H new ATOM 2673 N PHE B 76 5.039 -1.085 4.458 1.00 0.00 N ATOM 2674 CA PHE B 76 6.322 -0.337 4.544 1.00 0.00 C ATOM 2675 C PHE B 76 6.418 0.613 3.351 1.00 0.00 C ATOM 2676 O PHE B 76 6.780 1.766 3.484 1.00 0.00 O ATOM 2677 CB PHE B 76 7.484 -1.330 4.496 1.00 0.00 C ATOM 2678 CG PHE B 76 8.041 -1.530 5.885 1.00 0.00 C ATOM 2679 CD1 PHE B 76 8.259 -0.429 6.721 1.00 0.00 C ATOM 2680 CD2 PHE B 76 8.345 -2.822 6.332 1.00 0.00 C ATOM 2681 CE1 PHE B 76 8.781 -0.619 8.007 1.00 0.00 C ATOM 2682 CE2 PHE B 76 8.866 -3.012 7.617 1.00 0.00 C ATOM 2683 CZ PHE B 76 9.084 -1.910 8.454 1.00 0.00 C ATOM 0 H PHE B 76 5.117 -2.036 4.096 1.00 0.00 H new ATOM 0 HA PHE B 76 6.365 0.230 5.474 1.00 0.00 H new ATOM 0 HB2 PHE B 76 7.144 -2.283 4.089 1.00 0.00 H new ATOM 0 HB3 PHE B 76 8.264 -0.960 3.831 1.00 0.00 H new ATOM 0 HD1 PHE B 76 8.025 0.567 6.375 1.00 0.00 H new ATOM 0 HD2 PHE B 76 8.178 -3.671 5.686 1.00 0.00 H new ATOM 0 HE1 PHE B 76 8.949 0.230 8.653 1.00 0.00 H new ATOM 0 HE2 PHE B 76 9.100 -4.008 7.963 1.00 0.00 H new ATOM 0 HZ PHE B 76 9.486 -2.057 9.445 1.00 0.00 H new ATOM 2693 N VAL B 77 6.092 0.130 2.184 1.00 0.00 N ATOM 2694 CA VAL B 77 6.155 0.989 0.970 1.00 0.00 C ATOM 2695 C VAL B 77 5.044 2.038 1.033 1.00 0.00 C ATOM 2696 O VAL B 77 5.160 3.111 0.480 1.00 0.00 O ATOM 2697 CB VAL B 77 5.969 0.107 -0.268 1.00 0.00 C ATOM 2698 CG1 VAL B 77 5.882 0.984 -1.519 1.00 0.00 C ATOM 2699 CG2 VAL B 77 7.163 -0.841 -0.398 1.00 0.00 C ATOM 0 H VAL B 77 5.783 -0.828 2.019 1.00 0.00 H new ATOM 0 HA VAL B 77 7.119 1.495 0.918 1.00 0.00 H new ATOM 0 HB VAL B 77 5.049 -0.469 -0.166 1.00 0.00 H new ATOM 0 HG11 VAL B 77 5.750 0.353 -2.398 1.00 0.00 H new ATOM 0 HG12 VAL B 77 5.034 1.663 -1.429 1.00 0.00 H new ATOM 0 HG13 VAL B 77 6.800 1.562 -1.623 1.00 0.00 H new ATOM 0 HG21 VAL B 77 7.034 -1.470 -1.278 1.00 0.00 H new ATOM 0 HG22 VAL B 77 8.080 -0.260 -0.499 1.00 0.00 H new ATOM 0 HG23 VAL B 77 7.227 -1.469 0.491 1.00 0.00 H new ATOM 2709 N SER B 78 3.967 1.734 1.704 1.00 0.00 N ATOM 2710 CA SER B 78 2.846 2.712 1.801 1.00 0.00 C ATOM 2711 C SER B 78 3.173 3.781 2.848 1.00 0.00 C ATOM 2712 O SER B 78 3.083 4.962 2.588 1.00 0.00 O ATOM 2713 CB SER B 78 1.569 1.976 2.207 1.00 0.00 C ATOM 2714 OG SER B 78 1.295 0.954 1.259 1.00 0.00 O ATOM 0 H SER B 78 3.815 0.850 2.190 1.00 0.00 H new ATOM 0 HA SER B 78 2.704 3.193 0.833 1.00 0.00 H new ATOM 0 HB2 SER B 78 1.685 1.544 3.201 1.00 0.00 H new ATOM 0 HB3 SER B 78 0.734 2.674 2.258 1.00 0.00 H new ATOM 0 HG SER B 78 1.887 0.190 1.421 1.00 0.00 H new ATOM 2720 N MET B 79 3.545 3.374 4.030 1.00 0.00 N ATOM 2721 CA MET B 79 3.871 4.361 5.094 1.00 0.00 C ATOM 2722 C MET B 79 4.775 5.460 4.531 1.00 0.00 C ATOM 2723 O MET B 79 4.637 6.620 4.866 1.00 0.00 O ATOM 2724 CB MET B 79 4.597 3.642 6.229 1.00 0.00 C ATOM 2725 CG MET B 79 3.617 2.742 6.981 1.00 0.00 C ATOM 2726 SD MET B 79 3.393 3.370 8.664 1.00 0.00 S ATOM 2727 CE MET B 79 4.557 2.252 9.480 1.00 0.00 C ATOM 0 H MET B 79 3.637 2.396 4.305 1.00 0.00 H new ATOM 0 HA MET B 79 2.951 4.813 5.463 1.00 0.00 H new ATOM 0 HB2 MET B 79 5.418 3.047 5.829 1.00 0.00 H new ATOM 0 HB3 MET B 79 5.034 4.370 6.912 1.00 0.00 H new ATOM 0 HG2 MET B 79 2.659 2.714 6.461 1.00 0.00 H new ATOM 0 HG3 MET B 79 3.994 1.720 7.010 1.00 0.00 H new ATOM 0 HE1 MET B 79 4.579 2.467 10.548 1.00 0.00 H new ATOM 0 HE2 MET B 79 4.241 1.221 9.324 1.00 0.00 H new ATOM 0 HE3 MET B 79 5.553 2.394 9.060 1.00 0.00 H new ATOM 2737 N VAL B 80 5.706 5.106 3.689 1.00 0.00 N ATOM 2738 CA VAL B 80 6.624 6.130 3.121 1.00 0.00 C ATOM 2739 C VAL B 80 5.914 6.932 2.026 1.00 0.00 C ATOM 2740 O VAL B 80 5.958 8.147 2.010 1.00 0.00 O ATOM 2741 CB VAL B 80 7.847 5.434 2.533 1.00 0.00 C ATOM 2742 CG1 VAL B 80 8.596 4.693 3.642 1.00 0.00 C ATOM 2743 CG2 VAL B 80 7.408 4.439 1.453 1.00 0.00 C ATOM 0 H VAL B 80 5.870 4.151 3.370 1.00 0.00 H new ATOM 0 HA VAL B 80 6.931 6.814 3.912 1.00 0.00 H new ATOM 0 HB VAL B 80 8.506 6.179 2.087 1.00 0.00 H new ATOM 0 HG11 VAL B 80 9.470 4.196 3.221 1.00 0.00 H new ATOM 0 HG12 VAL B 80 8.915 5.404 4.404 1.00 0.00 H new ATOM 0 HG13 VAL B 80 7.938 3.950 4.092 1.00 0.00 H new ATOM 0 HG21 VAL B 80 8.285 3.944 1.036 1.00 0.00 H new ATOM 0 HG22 VAL B 80 6.746 3.693 1.893 1.00 0.00 H new ATOM 0 HG23 VAL B 80 6.881 4.971 0.661 1.00 0.00 H new ATOM 2753 N THR B 81 5.266 6.268 1.107 1.00 0.00 N ATOM 2754 CA THR B 81 4.566 7.006 0.017 1.00 0.00 C ATOM 2755 C THR B 81 3.438 7.851 0.611 1.00 0.00 C ATOM 2756 O THR B 81 2.858 8.687 -0.054 1.00 0.00 O ATOM 2757 CB THR B 81 3.987 6.008 -0.990 1.00 0.00 C ATOM 2758 OG1 THR B 81 4.802 4.847 -1.020 1.00 0.00 O ATOM 2759 CG2 THR B 81 3.954 6.644 -2.380 1.00 0.00 C ATOM 0 H THR B 81 5.191 5.252 1.064 1.00 0.00 H new ATOM 0 HA THR B 81 5.276 7.659 -0.491 1.00 0.00 H new ATOM 0 HB THR B 81 2.974 5.737 -0.693 1.00 0.00 H new ATOM 0 HG1 THR B 81 4.581 4.273 -0.257 1.00 0.00 H new ATOM 0 HG21 THR B 81 3.542 5.933 -3.096 1.00 0.00 H new ATOM 0 HG22 THR B 81 3.331 7.538 -2.356 1.00 0.00 H new ATOM 0 HG23 THR B 81 4.966 6.915 -2.680 1.00 0.00 H new ATOM 2767 N THR B 82 3.124 7.646 1.860 1.00 0.00 N ATOM 2768 CA THR B 82 2.039 8.442 2.498 1.00 0.00 C ATOM 2769 C THR B 82 2.666 9.571 3.319 1.00 0.00 C ATOM 2770 O THR B 82 2.155 10.672 3.378 1.00 0.00 O ATOM 2771 CB THR B 82 1.214 7.535 3.416 1.00 0.00 C ATOM 2772 OG1 THR B 82 2.055 6.534 3.971 1.00 0.00 O ATOM 2773 CG2 THR B 82 0.092 6.870 2.613 1.00 0.00 C ATOM 0 H THR B 82 3.573 6.960 2.467 1.00 0.00 H new ATOM 0 HA THR B 82 1.389 8.864 1.731 1.00 0.00 H new ATOM 0 HB THR B 82 0.779 8.133 4.217 1.00 0.00 H new ATOM 0 HG1 THR B 82 2.154 5.799 3.331 1.00 0.00 H new ATOM 0 HG21 THR B 82 -0.493 6.226 3.270 1.00 0.00 H new ATOM 0 HG22 THR B 82 -0.555 7.637 2.188 1.00 0.00 H new ATOM 0 HG23 THR B 82 0.524 6.273 1.810 1.00 0.00 H new ATOM 2781 N ALA B 83 3.775 9.304 3.953 1.00 0.00 N ATOM 2782 CA ALA B 83 4.447 10.354 4.769 1.00 0.00 C ATOM 2783 C ALA B 83 5.138 11.355 3.841 1.00 0.00 C ATOM 2784 O ALA B 83 4.660 12.452 3.629 1.00 0.00 O ATOM 2785 CB ALA B 83 5.487 9.699 5.680 1.00 0.00 C ATOM 0 H ALA B 83 4.246 8.400 3.941 1.00 0.00 H new ATOM 0 HA ALA B 83 3.707 10.875 5.377 1.00 0.00 H new ATOM 0 HB1 ALA B 83 5.980 10.465 6.278 1.00 0.00 H new ATOM 0 HB2 ALA B 83 4.994 8.985 6.340 1.00 0.00 H new ATOM 0 HB3 ALA B 83 6.228 9.180 5.072 1.00 0.00 H new