USER MOD reduce.3.24.130724 H: found=0, std=0, add=1338, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 1338 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 145 SER OG : rot 76:sc= 1.9 USER MOD Set 1.2: A 148 THR OG1 : rot -68:sc= -0.103 USER MOD Set 2.1: A 85 ASN : amide:sc= -1.91 K(o=-0.85,f=-6.8!) USER MOD Set 2.2: A 117 LYS NZ :NH3+ -177:sc= 1.07 (180deg=1.06) USER MOD Set 3.1: A 94 HIS : no HD1:sc= -0.144 X(o=-0.4,f=-0.35) USER MOD Set 3.2: A 137 TYR OH : rot 63:sc= -0.253 USER MOD Set 4.1: A 87 THR OG1 : rot 180:sc= 0.656 USER MOD Set 4.2: A 124 THR OG1 : rot 128:sc= 0.677 USER MOD Set 5.1: A 32 TYR OH : rot 72:sc= 0.765 USER MOD Set 5.2: A 40 TYR OH : rot 180:sc= 0.689 USER MOD Set 6.1: A 25 GLN : amide:sc= 0.7 K(o=0.14,f=-0.73) USER MOD Set 6.2: A 27 HIS : no HD1:sc= -0.558 K(o=0.14,f=-4.9!) USER MOD Set 7.1: A 16 LYS NZ :NH3+ -162:sc= 1.62 (180deg=0.486) USER MOD Set 7.2: A 58 THR OG1 : rot -96:sc= 2.02 USER MOD Set 8.1: A 2 THR OG1 : rot 97:sc= 1.53 USER MOD Set 8.2: A 51 CYS SG : rot -151:sc= 0.752! USER MOD Single : A 1 MET CE :methyl -165:sc= -0.0442 (180deg=-0.34) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc= 0.917 USER MOD Single : A 5 LYS NZ :NH3+ 139:sc= 1.08 (180deg=0.507) USER MOD Single : A 17 SER OG : rot -99:sc= 1.06 USER MOD Single : A 20 THR OG1 : rot 76:sc= 0.211 USER MOD Single : A 22 GLN : amide:sc= 0.754 K(o=0.75,f=-0.54) USER MOD Single : A 26 ASN : amide:sc= -0.193 K(o=-0.19,f=-1.2) USER MOD Single : A 35 THR OG1 : rot 14:sc= 1.2 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 177:sc= 1.13 (180deg=1.11) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.188 K(o=-0.19,f=-0.88) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0.0765 USER MOD Single : A 67 MET CE :methyl -179:sc= -0.0509 (180deg=-0.0528) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 TYR OH : rot 111:sc= 1.29 USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.072 USER MOD Single : A 80 CYS SG : rot 170:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -0.599 K(o=-0.6,f=-5.4!) USER MOD Single : A 88 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0388) USER MOD Single : A 89 SER OG : rot -61:sc= 1.77 USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 TYR OH : rot -110:sc= 0.552 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ -160:sc= 1.46 (180deg=1.27) USER MOD Single : A 106 SER OG : rot 180:sc= -0.0511 USER MOD Single : A 111 MET CE :methyl -174:sc= -0.276 (180deg=-0.346) USER MOD Single : A 116 ASN : amide:sc= 0.616 K(o=0.62,f=-7.5!) USER MOD Single : A 118 CYS SG : rot 180:sc= -0.906 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 127 THR OG1 : rot -100:sc= 1.17 USER MOD Single : A 128 LYS NZ :NH3+ -175:sc= 1.25 (180deg=1.09) USER MOD Single : A 129 GLN : amide:sc= -0.502 K(o=-0.5,f=-1.2) USER MOD Single : A 131 GLN : amide:sc= -0.914 K(o=-0.91,f=-1.6) USER MOD Single : A 136 SER OG : rot 72:sc= 1.26 USER MOD Single : A 144 THR OG1 : rot 160:sc= -0.996 USER MOD Single : A 147 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 157 TYR OH : rot 180:sc= 0 USER MOD Single : A 158 THR OG1 : rot 82:sc= 1.23 USER MOD Single : A 165 LYS NZ :NH3+ -168:sc= 1.17 (180deg=0.861) USER MOD Single : A 166 HIS : no HE2:sc= 1.04 K(o=1,f=-5.7!) USER MOD Single : A 167 LYS NZ :NH3+ -177:sc= 1.3 (180deg=1.18) USER MOD Single : A 169 LYS NZ :NH3+ -159:sc= 0.858 (180deg=0.705) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.261 9.792 7.789 1.00 0.55 N ATOM 2 CA MET A 1 18.874 9.695 7.280 1.00 0.44 C ATOM 3 C MET A 1 18.718 8.469 6.390 1.00 0.43 C ATOM 4 O MET A 1 19.287 8.406 5.296 1.00 0.60 O ATOM 5 CB MET A 1 18.504 10.957 6.489 1.00 0.50 C ATOM 6 CG MET A 1 17.045 11.002 6.045 1.00 0.53 C ATOM 7 SD MET A 1 16.669 12.436 5.017 1.00 1.04 S ATOM 8 CE MET A 1 16.953 13.782 6.172 1.00 1.48 C ATOM 0 H1 MET A 1 20.351 10.633 8.394 1.00 0.55 H new ATOM 0 H2 MET A 1 20.488 8.941 8.343 1.00 0.55 H new ATOM 0 H3 MET A 1 20.920 9.870 6.988 1.00 0.55 H new ATOM 0 HA MET A 1 18.204 9.601 8.134 1.00 0.44 H new ATOM 0 HB2 MET A 1 18.714 11.833 7.102 1.00 0.50 H new ATOM 0 HB3 MET A 1 19.144 11.023 5.609 1.00 0.50 H new ATOM 0 HG2 MET A 1 16.811 10.093 5.491 1.00 0.53 H new ATOM 0 HG3 MET A 1 16.403 11.014 6.925 1.00 0.53 H new ATOM 0 HE1 MET A 1 16.514 14.698 5.778 1.00 1.48 H new ATOM 0 HE2 MET A 1 16.493 13.542 7.131 1.00 1.48 H new ATOM 0 HE3 MET A 1 18.025 13.924 6.309 1.00 1.48 H new ATOM 20 N THR A 2 17.960 7.493 6.865 1.00 0.36 N ATOM 21 CA THR A 2 17.727 6.276 6.109 1.00 0.41 C ATOM 22 C THR A 2 16.554 6.452 5.151 1.00 0.33 C ATOM 23 O THR A 2 15.593 7.159 5.455 1.00 0.35 O ATOM 24 CB THR A 2 17.453 5.093 7.051 1.00 0.57 C ATOM 25 OG1 THR A 2 16.958 5.584 8.302 1.00 1.04 O ATOM 26 CG2 THR A 2 18.718 4.279 7.285 1.00 0.91 C ATOM 0 H THR A 2 17.496 7.522 7.773 1.00 0.36 H new ATOM 0 HA THR A 2 18.627 6.066 5.531 1.00 0.41 H new ATOM 0 HB THR A 2 16.709 4.445 6.587 1.00 0.57 H new ATOM 0 HG1 THR A 2 15.979 5.543 8.305 1.00 1.04 H new ATOM 0 HG21 THR A 2 18.497 3.448 7.955 1.00 0.91 H new ATOM 0 HG22 THR A 2 19.082 3.891 6.334 1.00 0.91 H new ATOM 0 HG23 THR A 2 19.481 4.914 7.734 1.00 0.91 H new ATOM 34 N GLU A 3 16.647 5.821 3.993 1.00 0.31 N ATOM 35 CA GLU A 3 15.598 5.905 2.990 1.00 0.26 C ATOM 36 C GLU A 3 14.798 4.604 2.939 1.00 0.24 C ATOM 37 O GLU A 3 15.366 3.510 2.892 1.00 0.37 O ATOM 38 CB GLU A 3 16.208 6.213 1.617 1.00 0.37 C ATOM 39 CG GLU A 3 15.191 6.265 0.485 1.00 0.42 C ATOM 40 CD GLU A 3 15.834 6.499 -0.865 1.00 0.62 C ATOM 41 OE1 GLU A 3 16.244 7.644 -1.152 1.00 1.15 O ATOM 42 OE2 GLU A 3 15.934 5.538 -1.657 1.00 1.27 O ATOM 0 H GLU A 3 17.442 5.242 3.723 1.00 0.31 H new ATOM 0 HA GLU A 3 14.919 6.713 3.262 1.00 0.26 H new ATOM 0 HB2 GLU A 3 16.728 7.169 1.668 1.00 0.37 H new ATOM 0 HB3 GLU A 3 16.956 5.455 1.385 1.00 0.37 H new ATOM 0 HG2 GLU A 3 14.633 5.329 0.460 1.00 0.42 H new ATOM 0 HG3 GLU A 3 14.472 7.060 0.684 1.00 0.42 H new ATOM 49 N TYR A 4 13.481 4.728 2.958 1.00 0.19 N ATOM 50 CA TYR A 4 12.599 3.574 2.904 1.00 0.25 C ATOM 51 C TYR A 4 11.774 3.610 1.634 1.00 0.21 C ATOM 52 O TYR A 4 10.982 4.532 1.425 1.00 0.21 O ATOM 53 CB TYR A 4 11.677 3.540 4.122 1.00 0.37 C ATOM 54 CG TYR A 4 12.377 3.110 5.390 1.00 0.53 C ATOM 55 CD1 TYR A 4 12.240 1.817 5.881 1.00 0.91 C ATOM 56 CD2 TYR A 4 13.177 3.996 6.098 1.00 0.78 C ATOM 57 CE1 TYR A 4 12.875 1.425 7.044 1.00 1.06 C ATOM 58 CE2 TYR A 4 13.816 3.609 7.256 1.00 0.93 C ATOM 59 CZ TYR A 4 13.661 2.328 7.726 1.00 0.91 C ATOM 60 OH TYR A 4 14.288 1.955 8.889 1.00 1.11 O ATOM 0 H TYR A 4 12.996 5.624 3.011 1.00 0.19 H new ATOM 0 HA TYR A 4 13.212 2.673 2.909 1.00 0.25 H new ATOM 0 HB2 TYR A 4 11.247 4.530 4.271 1.00 0.37 H new ATOM 0 HB3 TYR A 4 10.849 2.859 3.923 1.00 0.37 H new ATOM 0 HD1 TYR A 4 11.627 1.107 5.345 1.00 0.91 H new ATOM 0 HD2 TYR A 4 13.301 5.006 5.735 1.00 0.78 H new ATOM 0 HE1 TYR A 4 12.756 0.418 7.416 1.00 1.06 H new ATOM 0 HE2 TYR A 4 14.437 4.311 7.792 1.00 0.93 H new ATOM 0 HH TYR A 4 14.803 2.711 9.240 1.00 1.11 H new ATOM 70 N LYS A 5 11.973 2.619 0.782 1.00 0.24 N ATOM 71 CA LYS A 5 11.256 2.544 -0.479 1.00 0.26 C ATOM 72 C LYS A 5 10.050 1.619 -0.351 1.00 0.24 C ATOM 73 O LYS A 5 10.195 0.401 -0.218 1.00 0.29 O ATOM 74 CB LYS A 5 12.192 2.072 -1.593 1.00 0.40 C ATOM 75 CG LYS A 5 13.419 2.958 -1.745 1.00 0.81 C ATOM 76 CD LYS A 5 14.341 2.477 -2.854 1.00 0.65 C ATOM 77 CE LYS A 5 13.806 2.829 -4.232 1.00 0.62 C ATOM 78 NZ LYS A 5 13.727 4.299 -4.449 1.00 0.71 N ATOM 0 H LYS A 5 12.627 1.853 0.941 1.00 0.24 H new ATOM 0 HA LYS A 5 10.893 3.539 -0.737 1.00 0.26 H new ATOM 0 HB2 LYS A 5 12.510 1.050 -1.386 1.00 0.40 H new ATOM 0 HB3 LYS A 5 11.646 2.050 -2.536 1.00 0.40 H new ATOM 0 HG2 LYS A 5 13.103 3.980 -1.955 1.00 0.81 H new ATOM 0 HG3 LYS A 5 13.967 2.981 -0.803 1.00 0.81 H new ATOM 0 HD2 LYS A 5 15.328 2.922 -2.724 1.00 0.65 H new ATOM 0 HD3 LYS A 5 14.466 1.397 -2.779 1.00 0.65 H new ATOM 0 HE2 LYS A 5 14.449 2.386 -4.993 1.00 0.62 H new ATOM 0 HE3 LYS A 5 12.815 2.392 -4.357 1.00 0.62 H new ATOM 0 HZ1 LYS A 5 14.042 4.525 -5.414 1.00 0.71 H new ATOM 0 HZ2 LYS A 5 12.745 4.616 -4.323 1.00 0.71 H new ATOM 0 HZ3 LYS A 5 14.339 4.785 -3.762 1.00 0.71 H new ATOM 92 N LEU A 6 8.862 2.207 -0.398 1.00 0.26 N ATOM 93 CA LEU A 6 7.622 1.455 -0.274 1.00 0.33 C ATOM 94 C LEU A 6 6.682 1.757 -1.434 1.00 0.27 C ATOM 95 O LEU A 6 6.594 2.892 -1.902 1.00 0.29 O ATOM 96 CB LEU A 6 6.932 1.770 1.059 1.00 0.45 C ATOM 97 CG LEU A 6 6.960 3.240 1.487 1.00 0.70 C ATOM 98 CD1 LEU A 6 5.585 3.691 1.953 1.00 1.39 C ATOM 99 CD2 LEU A 6 7.980 3.447 2.595 1.00 1.08 C ATOM 0 H LEU A 6 8.732 3.211 -0.522 1.00 0.26 H new ATOM 0 HA LEU A 6 7.870 0.394 -0.300 1.00 0.33 H new ATOM 0 HB2 LEU A 6 5.892 1.449 0.994 1.00 0.45 H new ATOM 0 HB3 LEU A 6 7.402 1.173 1.841 1.00 0.45 H new ATOM 0 HG LEU A 6 7.247 3.841 0.625 1.00 0.70 H new ATOM 0 HD11 LEU A 6 5.628 4.738 2.252 1.00 1.39 H new ATOM 0 HD12 LEU A 6 4.869 3.575 1.139 1.00 1.39 H new ATOM 0 HD13 LEU A 6 5.271 3.083 2.802 1.00 1.39 H new ATOM 0 HD21 LEU A 6 7.989 4.496 2.890 1.00 1.08 H new ATOM 0 HD22 LEU A 6 7.714 2.831 3.454 1.00 1.08 H new ATOM 0 HD23 LEU A 6 8.969 3.162 2.237 1.00 1.08 H new ATOM 111 N VAL A 7 5.971 0.739 -1.893 1.00 0.26 N ATOM 112 CA VAL A 7 5.048 0.901 -3.007 1.00 0.26 C ATOM 113 C VAL A 7 3.635 0.505 -2.607 1.00 0.30 C ATOM 114 O VAL A 7 3.424 -0.519 -1.954 1.00 0.39 O ATOM 115 CB VAL A 7 5.468 0.052 -4.232 1.00 0.32 C ATOM 116 CG1 VAL A 7 4.638 0.416 -5.457 1.00 0.81 C ATOM 117 CG2 VAL A 7 6.952 0.211 -4.525 1.00 0.74 C ATOM 0 H VAL A 7 6.015 -0.206 -1.513 1.00 0.26 H new ATOM 0 HA VAL A 7 5.075 1.956 -3.279 1.00 0.26 H new ATOM 0 HB VAL A 7 5.281 -0.994 -3.991 1.00 0.32 H new ATOM 0 HG11 VAL A 7 4.952 -0.194 -6.304 1.00 0.81 H new ATOM 0 HG12 VAL A 7 3.584 0.233 -5.250 1.00 0.81 H new ATOM 0 HG13 VAL A 7 4.784 1.470 -5.695 1.00 0.81 H new ATOM 0 HG21 VAL A 7 7.219 -0.396 -5.390 1.00 0.74 H new ATOM 0 HG22 VAL A 7 7.171 1.258 -4.735 1.00 0.74 H new ATOM 0 HG23 VAL A 7 7.530 -0.115 -3.660 1.00 0.74 H new ATOM 127 N VAL A 8 2.673 1.330 -2.976 1.00 0.28 N ATOM 128 CA VAL A 8 1.283 1.043 -2.690 1.00 0.33 C ATOM 129 C VAL A 8 0.686 0.333 -3.895 1.00 0.37 C ATOM 130 O VAL A 8 0.426 0.956 -4.927 1.00 0.41 O ATOM 131 CB VAL A 8 0.476 2.323 -2.375 1.00 0.37 C ATOM 132 CG1 VAL A 8 -0.992 2.000 -2.128 1.00 0.44 C ATOM 133 CG2 VAL A 8 1.073 3.041 -1.175 1.00 0.37 C ATOM 0 H VAL A 8 2.831 2.205 -3.475 1.00 0.28 H new ATOM 0 HA VAL A 8 1.232 0.412 -1.803 1.00 0.33 H new ATOM 0 HB VAL A 8 0.533 2.982 -3.242 1.00 0.37 H new ATOM 0 HG11 VAL A 8 -1.535 2.919 -1.909 1.00 0.44 H new ATOM 0 HG12 VAL A 8 -1.416 1.531 -3.016 1.00 0.44 H new ATOM 0 HG13 VAL A 8 -1.077 1.318 -1.282 1.00 0.44 H new ATOM 0 HG21 VAL A 8 0.495 3.941 -0.965 1.00 0.37 H new ATOM 0 HG22 VAL A 8 1.048 2.382 -0.307 1.00 0.37 H new ATOM 0 HG23 VAL A 8 2.105 3.316 -1.392 1.00 0.37 H new ATOM 143 N VAL A 9 0.506 -0.970 -3.776 1.00 0.40 N ATOM 144 CA VAL A 9 -0.028 -1.774 -4.866 1.00 0.46 C ATOM 145 C VAL A 9 -1.436 -2.259 -4.558 1.00 0.52 C ATOM 146 O VAL A 9 -1.772 -2.532 -3.404 1.00 0.70 O ATOM 147 CB VAL A 9 0.864 -2.996 -5.154 1.00 0.49 C ATOM 148 CG1 VAL A 9 2.078 -2.584 -5.974 1.00 0.51 C ATOM 149 CG2 VAL A 9 1.288 -3.678 -3.855 1.00 0.59 C ATOM 0 H VAL A 9 0.723 -1.499 -2.931 1.00 0.40 H new ATOM 0 HA VAL A 9 -0.051 -1.130 -5.745 1.00 0.46 H new ATOM 0 HB VAL A 9 0.286 -3.715 -5.735 1.00 0.49 H new ATOM 0 HG11 VAL A 9 2.699 -3.458 -6.169 1.00 0.51 H new ATOM 0 HG12 VAL A 9 1.749 -2.154 -6.920 1.00 0.51 H new ATOM 0 HG13 VAL A 9 2.657 -1.844 -5.421 1.00 0.51 H new ATOM 0 HG21 VAL A 9 1.917 -4.538 -4.084 1.00 0.59 H new ATOM 0 HG22 VAL A 9 1.847 -2.973 -3.240 1.00 0.59 H new ATOM 0 HG23 VAL A 9 0.403 -4.010 -3.313 1.00 0.59 H new ATOM 159 N GLY A 10 -2.255 -2.369 -5.589 1.00 0.44 N ATOM 160 CA GLY A 10 -3.613 -2.822 -5.408 1.00 0.51 C ATOM 161 C GLY A 10 -4.433 -2.594 -6.644 1.00 0.51 C ATOM 162 O GLY A 10 -3.898 -2.172 -7.670 1.00 0.53 O ATOM 0 H GLY A 10 -2.001 -2.151 -6.553 1.00 0.44 H new ATOM 0 HA2 GLY A 10 -3.614 -3.883 -5.159 1.00 0.51 H new ATOM 0 HA3 GLY A 10 -4.065 -2.296 -4.567 1.00 0.51 H new ATOM 166 N ALA A 11 -5.719 -2.880 -6.556 1.00 0.52 N ATOM 167 CA ALA A 11 -6.624 -2.701 -7.682 1.00 0.53 C ATOM 168 C ALA A 11 -6.904 -1.221 -7.940 1.00 0.50 C ATOM 169 O ALA A 11 -6.736 -0.379 -7.055 1.00 0.50 O ATOM 170 CB ALA A 11 -7.923 -3.457 -7.434 1.00 0.58 C ATOM 0 H ALA A 11 -6.165 -3.240 -5.712 1.00 0.52 H new ATOM 0 HA ALA A 11 -6.143 -3.106 -8.572 1.00 0.53 H new ATOM 0 HB1 ALA A 11 -8.593 -3.317 -8.282 1.00 0.58 H new ATOM 0 HB2 ALA A 11 -7.709 -4.519 -7.313 1.00 0.58 H new ATOM 0 HB3 ALA A 11 -8.398 -3.077 -6.529 1.00 0.58 H new ATOM 176 N GLY A 12 -7.322 -0.909 -9.154 1.00 0.55 N ATOM 177 CA GLY A 12 -7.612 0.464 -9.501 1.00 0.54 C ATOM 178 C GLY A 12 -8.934 0.923 -8.928 1.00 0.54 C ATOM 179 O GLY A 12 -9.928 0.201 -8.998 1.00 0.80 O ATOM 0 H GLY A 12 -7.466 -1.582 -9.907 1.00 0.55 H new ATOM 0 HA2 GLY A 12 -6.813 1.108 -9.133 1.00 0.54 H new ATOM 0 HA3 GLY A 12 -7.631 0.568 -10.586 1.00 0.54 H new ATOM 183 N GLY A 13 -8.939 2.111 -8.344 1.00 0.34 N ATOM 184 CA GLY A 13 -10.159 2.656 -7.780 1.00 0.40 C ATOM 185 C GLY A 13 -10.294 2.423 -6.289 1.00 0.40 C ATOM 186 O GLY A 13 -11.299 2.816 -5.689 1.00 0.42 O ATOM 0 H GLY A 13 -8.119 2.710 -8.250 1.00 0.34 H new ATOM 0 HA2 GLY A 13 -10.193 3.728 -7.977 1.00 0.40 H new ATOM 0 HA3 GLY A 13 -11.015 2.211 -8.288 1.00 0.40 H new ATOM 190 N VAL A 14 -9.291 1.803 -5.676 1.00 0.39 N ATOM 191 CA VAL A 14 -9.349 1.535 -4.242 1.00 0.41 C ATOM 192 C VAL A 14 -9.002 2.787 -3.439 1.00 0.44 C ATOM 193 O VAL A 14 -9.414 2.928 -2.291 1.00 0.57 O ATOM 194 CB VAL A 14 -8.431 0.369 -3.813 1.00 0.42 C ATOM 195 CG1 VAL A 14 -8.833 -0.909 -4.528 1.00 0.41 C ATOM 196 CG2 VAL A 14 -6.960 0.681 -4.060 1.00 0.43 C ATOM 0 H VAL A 14 -8.441 1.481 -6.139 1.00 0.39 H new ATOM 0 HA VAL A 14 -10.376 1.239 -4.029 1.00 0.41 H new ATOM 0 HB VAL A 14 -8.556 0.230 -2.739 1.00 0.42 H new ATOM 0 HG11 VAL A 14 -8.178 -1.722 -4.216 1.00 0.41 H new ATOM 0 HG12 VAL A 14 -9.864 -1.157 -4.277 1.00 0.41 H new ATOM 0 HG13 VAL A 14 -8.746 -0.766 -5.605 1.00 0.41 H new ATOM 0 HG21 VAL A 14 -6.350 -0.166 -3.744 1.00 0.43 H new ATOM 0 HG22 VAL A 14 -6.801 0.866 -5.122 1.00 0.43 H new ATOM 0 HG23 VAL A 14 -6.675 1.566 -3.491 1.00 0.43 H new ATOM 206 N GLY A 15 -8.256 3.704 -4.054 1.00 0.39 N ATOM 207 CA GLY A 15 -7.883 4.934 -3.375 1.00 0.42 C ATOM 208 C GLY A 15 -6.399 5.041 -3.093 1.00 0.43 C ATOM 209 O GLY A 15 -5.998 5.771 -2.188 1.00 0.49 O ATOM 0 H GLY A 15 -7.905 3.617 -5.008 1.00 0.39 H new ATOM 0 HA2 GLY A 15 -8.191 5.784 -3.984 1.00 0.42 H new ATOM 0 HA3 GLY A 15 -8.429 5.001 -2.434 1.00 0.42 H new ATOM 213 N LYS A 16 -5.585 4.358 -3.899 1.00 0.41 N ATOM 214 CA LYS A 16 -4.130 4.362 -3.719 1.00 0.45 C ATOM 215 C LYS A 16 -3.566 5.782 -3.667 1.00 0.47 C ATOM 216 O LYS A 16 -2.908 6.164 -2.697 1.00 0.58 O ATOM 217 CB LYS A 16 -3.445 3.581 -4.847 1.00 0.46 C ATOM 218 CG LYS A 16 -3.856 2.118 -4.909 1.00 0.65 C ATOM 219 CD LYS A 16 -3.030 1.331 -5.918 1.00 0.79 C ATOM 220 CE LYS A 16 -3.638 1.396 -7.311 1.00 0.78 C ATOM 221 NZ LYS A 16 -2.895 0.553 -8.289 1.00 0.81 N ATOM 0 H LYS A 16 -5.908 3.794 -4.685 1.00 0.41 H new ATOM 0 HA LYS A 16 -3.925 3.879 -2.764 1.00 0.45 H new ATOM 0 HB2 LYS A 16 -3.677 4.056 -5.800 1.00 0.46 H new ATOM 0 HB3 LYS A 16 -2.365 3.641 -4.716 1.00 0.46 H new ATOM 0 HG2 LYS A 16 -3.745 1.669 -3.922 1.00 0.65 H new ATOM 0 HG3 LYS A 16 -4.911 2.050 -5.173 1.00 0.65 H new ATOM 0 HD2 LYS A 16 -2.014 1.726 -5.945 1.00 0.79 H new ATOM 0 HD3 LYS A 16 -2.959 0.291 -5.599 1.00 0.79 H new ATOM 0 HE2 LYS A 16 -4.677 1.069 -7.268 1.00 0.78 H new ATOM 0 HE3 LYS A 16 -3.643 2.430 -7.655 1.00 0.78 H new ATOM 0 HZ1 LYS A 16 -3.135 0.850 -9.256 1.00 0.81 H new ATOM 0 HZ2 LYS A 16 -1.872 0.664 -8.137 1.00 0.81 H new ATOM 0 HZ3 LYS A 16 -3.158 -0.445 -8.158 1.00 0.81 H new ATOM 235 N SER A 17 -3.855 6.561 -4.708 1.00 0.40 N ATOM 236 CA SER A 17 -3.365 7.936 -4.812 1.00 0.41 C ATOM 237 C SER A 17 -3.840 8.807 -3.641 1.00 0.40 C ATOM 238 O SER A 17 -3.024 9.413 -2.951 1.00 0.58 O ATOM 239 CB SER A 17 -3.807 8.569 -6.142 1.00 0.43 C ATOM 240 OG SER A 17 -3.857 7.608 -7.201 1.00 0.44 O ATOM 0 H SER A 17 -4.429 6.262 -5.496 1.00 0.40 H new ATOM 0 HA SER A 17 -2.277 7.890 -4.776 1.00 0.41 H new ATOM 0 HB2 SER A 17 -4.790 9.024 -6.018 1.00 0.43 H new ATOM 0 HB3 SER A 17 -3.117 9.369 -6.410 1.00 0.43 H new ATOM 0 HG SER A 17 -3.044 7.676 -7.743 1.00 0.44 H new ATOM 246 N ALA A 18 -5.152 8.834 -3.405 1.00 0.41 N ATOM 247 CA ALA A 18 -5.740 9.657 -2.341 1.00 0.40 C ATOM 248 C ALA A 18 -5.139 9.364 -0.965 1.00 0.41 C ATOM 249 O ALA A 18 -4.827 10.287 -0.208 1.00 0.43 O ATOM 250 CB ALA A 18 -7.249 9.465 -2.310 1.00 0.43 C ATOM 0 H ALA A 18 -5.833 8.293 -3.938 1.00 0.41 H new ATOM 0 HA ALA A 18 -5.505 10.696 -2.572 1.00 0.40 H new ATOM 0 HB1 ALA A 18 -7.678 10.079 -1.518 1.00 0.43 H new ATOM 0 HB2 ALA A 18 -7.673 9.762 -3.269 1.00 0.43 H new ATOM 0 HB3 ALA A 18 -7.479 8.416 -2.121 1.00 0.43 H new ATOM 256 N LEU A 19 -4.960 8.087 -0.654 1.00 0.44 N ATOM 257 CA LEU A 19 -4.410 7.685 0.636 1.00 0.50 C ATOM 258 C LEU A 19 -3.013 8.260 0.856 1.00 0.48 C ATOM 259 O LEU A 19 -2.689 8.731 1.947 1.00 0.51 O ATOM 260 CB LEU A 19 -4.369 6.157 0.737 1.00 0.60 C ATOM 261 CG LEU A 19 -5.717 5.484 1.003 1.00 0.76 C ATOM 262 CD1 LEU A 19 -5.635 4.003 0.692 1.00 0.92 C ATOM 263 CD2 LEU A 19 -6.140 5.694 2.448 1.00 0.79 C ATOM 0 H LEU A 19 -5.187 7.311 -1.276 1.00 0.44 H new ATOM 0 HA LEU A 19 -5.062 8.083 1.414 1.00 0.50 H new ATOM 0 HB2 LEU A 19 -3.959 5.759 -0.191 1.00 0.60 H new ATOM 0 HB3 LEU A 19 -3.679 5.880 1.534 1.00 0.60 H new ATOM 0 HG LEU A 19 -6.465 5.938 0.353 1.00 0.76 H new ATOM 0 HD11 LEU A 19 -6.601 3.537 0.886 1.00 0.92 H new ATOM 0 HD12 LEU A 19 -5.369 3.865 -0.356 1.00 0.92 H new ATOM 0 HD13 LEU A 19 -4.876 3.540 1.322 1.00 0.92 H new ATOM 0 HD21 LEU A 19 -7.101 5.209 2.620 1.00 0.79 H new ATOM 0 HD22 LEU A 19 -5.392 5.263 3.113 1.00 0.79 H new ATOM 0 HD23 LEU A 19 -6.231 6.761 2.649 1.00 0.79 H new ATOM 275 N THR A 20 -2.199 8.244 -0.187 1.00 0.49 N ATOM 276 CA THR A 20 -0.838 8.747 -0.093 1.00 0.54 C ATOM 277 C THR A 20 -0.799 10.276 -0.108 1.00 0.49 C ATOM 278 O THR A 20 -0.131 10.892 0.720 1.00 0.50 O ATOM 279 CB THR A 20 0.026 8.197 -1.240 1.00 0.64 C ATOM 280 OG1 THR A 20 -0.158 6.780 -1.334 1.00 0.89 O ATOM 281 CG2 THR A 20 1.496 8.515 -1.017 1.00 0.74 C ATOM 0 H THR A 20 -2.457 7.889 -1.108 1.00 0.49 H new ATOM 0 HA THR A 20 -0.433 8.403 0.859 1.00 0.54 H new ATOM 0 HB THR A 20 -0.285 8.673 -2.170 1.00 0.64 H new ATOM 0 HG1 THR A 20 -1.020 6.590 -1.759 1.00 0.89 H new ATOM 0 HG21 THR A 20 2.084 8.115 -1.843 1.00 0.74 H new ATOM 0 HG22 THR A 20 1.631 9.595 -0.966 1.00 0.74 H new ATOM 0 HG23 THR A 20 1.828 8.063 -0.082 1.00 0.74 H new ATOM 289 N ILE A 21 -1.543 10.881 -1.032 1.00 0.48 N ATOM 290 CA ILE A 21 -1.578 12.337 -1.168 1.00 0.50 C ATOM 291 C ILE A 21 -2.078 13.010 0.109 1.00 0.43 C ATOM 292 O ILE A 21 -1.707 14.144 0.414 1.00 0.43 O ATOM 293 CB ILE A 21 -2.452 12.763 -2.371 1.00 0.59 C ATOM 294 CG1 ILE A 21 -1.897 12.157 -3.663 1.00 0.63 C ATOM 295 CG2 ILE A 21 -2.517 14.279 -2.481 1.00 0.79 C ATOM 296 CD1 ILE A 21 -2.761 12.410 -4.882 1.00 0.76 C ATOM 0 H ILE A 21 -2.132 10.384 -1.700 1.00 0.48 H new ATOM 0 HA ILE A 21 -0.554 12.666 -1.346 1.00 0.50 H new ATOM 0 HB ILE A 21 -3.464 12.391 -2.213 1.00 0.59 H new ATOM 0 HG12 ILE A 21 -0.902 12.563 -3.845 1.00 0.63 H new ATOM 0 HG13 ILE A 21 -1.783 11.081 -3.528 1.00 0.63 H new ATOM 0 HG21 ILE A 21 -3.137 14.556 -3.334 1.00 0.79 H new ATOM 0 HG22 ILE A 21 -2.949 14.692 -1.569 1.00 0.79 H new ATOM 0 HG23 ILE A 21 -1.512 14.677 -2.619 1.00 0.79 H new ATOM 0 HD11 ILE A 21 -2.301 11.950 -5.756 1.00 0.76 H new ATOM 0 HD12 ILE A 21 -3.750 11.979 -4.723 1.00 0.76 H new ATOM 0 HD13 ILE A 21 -2.855 13.484 -5.045 1.00 0.76 H new ATOM 308 N GLN A 22 -2.895 12.299 0.867 1.00 0.41 N ATOM 309 CA GLN A 22 -3.435 12.823 2.115 1.00 0.37 C ATOM 310 C GLN A 22 -2.321 13.097 3.126 1.00 0.37 C ATOM 311 O GLN A 22 -2.382 14.058 3.886 1.00 0.46 O ATOM 312 CB GLN A 22 -4.433 11.836 2.705 1.00 0.40 C ATOM 313 CG GLN A 22 -5.870 12.333 2.706 1.00 0.43 C ATOM 314 CD GLN A 22 -6.199 13.188 3.914 1.00 0.36 C ATOM 315 OE1 GLN A 22 -5.371 13.952 4.398 1.00 0.35 O ATOM 316 NE2 GLN A 22 -7.417 13.054 4.413 1.00 0.41 N ATOM 0 H GLN A 22 -3.201 11.353 0.641 1.00 0.41 H new ATOM 0 HA GLN A 22 -3.939 13.764 1.897 1.00 0.37 H new ATOM 0 HB2 GLN A 22 -4.382 10.904 2.142 1.00 0.40 H new ATOM 0 HB3 GLN A 22 -4.139 11.606 3.729 1.00 0.40 H new ATOM 0 HG2 GLN A 22 -6.050 12.910 1.799 1.00 0.43 H new ATOM 0 HG3 GLN A 22 -6.545 11.477 2.678 1.00 0.43 H new ATOM 0 HE21 GLN A 22 -8.077 12.407 3.981 1.00 0.41 H new ATOM 0 HE22 GLN A 22 -7.696 13.597 5.230 1.00 0.41 H new ATOM 325 N LEU A 23 -1.291 12.259 3.113 1.00 0.41 N ATOM 326 CA LEU A 23 -0.172 12.411 4.041 1.00 0.44 C ATOM 327 C LEU A 23 0.938 13.272 3.438 1.00 0.40 C ATOM 328 O LEU A 23 1.912 13.616 4.112 1.00 0.49 O ATOM 329 CB LEU A 23 0.382 11.040 4.444 1.00 0.54 C ATOM 330 CG LEU A 23 -0.350 10.350 5.608 1.00 1.06 C ATOM 331 CD1 LEU A 23 -1.713 9.834 5.167 1.00 1.37 C ATOM 332 CD2 LEU A 23 0.500 9.216 6.165 1.00 1.25 C ATOM 0 H LEU A 23 -1.206 11.469 2.473 1.00 0.41 H new ATOM 0 HA LEU A 23 -0.546 12.917 4.931 1.00 0.44 H new ATOM 0 HB2 LEU A 23 0.348 10.383 3.575 1.00 0.54 H new ATOM 0 HB3 LEU A 23 1.431 11.156 4.715 1.00 0.54 H new ATOM 0 HG LEU A 23 -0.511 11.086 6.396 1.00 1.06 H new ATOM 0 HD11 LEU A 23 -2.209 9.351 6.009 1.00 1.37 H new ATOM 0 HD12 LEU A 23 -2.322 10.668 4.817 1.00 1.37 H new ATOM 0 HD13 LEU A 23 -1.585 9.114 4.359 1.00 1.37 H new ATOM 0 HD21 LEU A 23 -0.029 8.735 6.988 1.00 1.25 H new ATOM 0 HD22 LEU A 23 0.690 8.484 5.380 1.00 1.25 H new ATOM 0 HD23 LEU A 23 1.448 9.615 6.526 1.00 1.25 H new ATOM 344 N ILE A 24 0.786 13.623 2.168 1.00 0.37 N ATOM 345 CA ILE A 24 1.778 14.436 1.476 1.00 0.39 C ATOM 346 C ILE A 24 1.312 15.883 1.350 1.00 0.46 C ATOM 347 O ILE A 24 2.080 16.813 1.579 1.00 0.58 O ATOM 348 CB ILE A 24 2.087 13.867 0.072 1.00 0.40 C ATOM 349 CG1 ILE A 24 2.651 12.447 0.187 1.00 0.39 C ATOM 350 CG2 ILE A 24 3.055 14.772 -0.676 1.00 0.47 C ATOM 351 CD1 ILE A 24 4.028 12.372 0.820 1.00 0.37 C ATOM 0 H ILE A 24 -0.015 13.357 1.595 1.00 0.37 H new ATOM 0 HA ILE A 24 2.689 14.410 2.074 1.00 0.39 H new ATOM 0 HB ILE A 24 1.158 13.825 -0.496 1.00 0.40 H new ATOM 0 HG12 ILE A 24 1.961 11.841 0.774 1.00 0.39 H new ATOM 0 HG13 ILE A 24 2.697 12.005 -0.808 1.00 0.39 H new ATOM 0 HG21 ILE A 24 3.258 14.352 -1.661 1.00 0.47 H new ATOM 0 HG22 ILE A 24 2.614 15.763 -0.788 1.00 0.47 H new ATOM 0 HG23 ILE A 24 3.987 14.850 -0.116 1.00 0.47 H new ATOM 0 HD11 ILE A 24 4.353 11.332 0.863 1.00 0.37 H new ATOM 0 HD12 ILE A 24 4.735 12.948 0.223 1.00 0.37 H new ATOM 0 HD13 ILE A 24 3.987 12.781 1.829 1.00 0.37 H new ATOM 363 N GLN A 25 0.047 16.069 0.999 1.00 0.46 N ATOM 364 CA GLN A 25 -0.500 17.407 0.825 1.00 0.55 C ATOM 365 C GLN A 25 -1.407 17.801 1.988 1.00 0.50 C ATOM 366 O GLN A 25 -1.899 18.927 2.045 1.00 0.58 O ATOM 367 CB GLN A 25 -1.250 17.497 -0.502 1.00 0.65 C ATOM 368 CG GLN A 25 -0.335 17.532 -1.713 1.00 0.82 C ATOM 369 CD GLN A 25 -1.099 17.596 -3.019 1.00 1.04 C ATOM 370 OE1 GLN A 25 -2.239 18.069 -3.070 1.00 1.68 O ATOM 371 NE2 GLN A 25 -0.474 17.138 -4.090 1.00 1.38 N ATOM 0 H GLN A 25 -0.617 15.314 0.830 1.00 0.46 H new ATOM 0 HA GLN A 25 0.331 18.112 0.811 1.00 0.55 H new ATOM 0 HB2 GLN A 25 -1.922 16.643 -0.589 1.00 0.65 H new ATOM 0 HB3 GLN A 25 -1.871 18.393 -0.499 1.00 0.65 H new ATOM 0 HG2 GLN A 25 0.325 18.396 -1.640 1.00 0.82 H new ATOM 0 HG3 GLN A 25 0.299 16.645 -1.710 1.00 0.82 H new ATOM 0 HE21 GLN A 25 0.468 16.755 -4.006 1.00 1.38 H new ATOM 0 HE22 GLN A 25 -0.933 17.168 -5.000 1.00 1.38 H new ATOM 380 N ASN A 26 -1.634 16.859 2.901 1.00 0.44 N ATOM 381 CA ASN A 26 -2.452 17.086 4.101 1.00 0.49 C ATOM 382 C ASN A 26 -3.917 17.392 3.778 1.00 0.46 C ATOM 383 O ASN A 26 -4.565 18.174 4.478 1.00 0.58 O ATOM 384 CB ASN A 26 -1.846 18.215 4.946 1.00 0.61 C ATOM 385 CG ASN A 26 -2.349 18.218 6.380 1.00 1.02 C ATOM 386 OD1 ASN A 26 -2.666 17.170 6.945 1.00 1.40 O ATOM 387 ND2 ASN A 26 -2.431 19.397 6.977 1.00 1.60 N ATOM 0 H ASN A 26 -1.257 15.913 2.834 1.00 0.44 H new ATOM 0 HA ASN A 26 -2.445 16.156 4.669 1.00 0.49 H new ATOM 0 HB2 ASN A 26 -0.760 18.118 4.948 1.00 0.61 H new ATOM 0 HB3 ASN A 26 -2.079 19.174 4.483 1.00 0.61 H new ATOM 0 HD21 ASN A 26 -2.766 19.460 7.938 1.00 1.60 H new ATOM 0 HD22 ASN A 26 -2.159 20.243 6.476 1.00 1.60 H new ATOM 394 N HIS A 27 -4.448 16.765 2.734 1.00 0.41 N ATOM 395 CA HIS A 27 -5.846 16.965 2.359 1.00 0.44 C ATOM 396 C HIS A 27 -6.322 15.854 1.430 1.00 0.43 C ATOM 397 O HIS A 27 -5.524 15.223 0.732 1.00 0.46 O ATOM 398 CB HIS A 27 -6.081 18.348 1.721 1.00 0.51 C ATOM 399 CG HIS A 27 -5.647 18.470 0.290 1.00 0.55 C ATOM 400 ND1 HIS A 27 -6.530 18.476 -0.772 1.00 0.61 N ATOM 401 CD2 HIS A 27 -4.421 18.614 -0.245 1.00 0.67 C ATOM 402 CE1 HIS A 27 -5.856 18.612 -1.901 1.00 0.69 C ATOM 403 NE2 HIS A 27 -4.573 18.694 -1.606 1.00 0.74 N ATOM 0 H HIS A 27 -3.936 16.117 2.135 1.00 0.41 H new ATOM 0 HA HIS A 27 -6.434 16.927 3.276 1.00 0.44 H new ATOM 0 HB2 HIS A 27 -7.143 18.584 1.784 1.00 0.51 H new ATOM 0 HB3 HIS A 27 -5.552 19.097 2.310 1.00 0.51 H new ATOM 0 HD2 HIS A 27 -3.488 18.658 0.298 1.00 0.67 H new ATOM 0 HE1 HIS A 27 -6.282 18.649 -2.893 1.00 0.69 H new ATOM 0 HE2 HIS A 27 -3.816 18.800 -2.281 1.00 0.74 H new ATOM 412 N PHE A 28 -7.625 15.617 1.440 1.00 0.44 N ATOM 413 CA PHE A 28 -8.230 14.582 0.619 1.00 0.45 C ATOM 414 C PHE A 28 -8.589 15.114 -0.762 1.00 0.45 C ATOM 415 O PHE A 28 -9.221 16.166 -0.897 1.00 0.52 O ATOM 416 CB PHE A 28 -9.475 14.029 1.317 1.00 0.52 C ATOM 417 CG PHE A 28 -10.261 13.046 0.491 1.00 0.47 C ATOM 418 CD1 PHE A 28 -9.679 11.870 0.039 1.00 0.48 C ATOM 419 CD2 PHE A 28 -11.585 13.296 0.171 1.00 0.60 C ATOM 420 CE1 PHE A 28 -10.404 10.966 -0.715 1.00 0.49 C ATOM 421 CE2 PHE A 28 -12.314 12.395 -0.582 1.00 0.60 C ATOM 422 CZ PHE A 28 -11.724 11.230 -1.025 1.00 0.48 C ATOM 0 H PHE A 28 -8.289 16.135 2.015 1.00 0.44 H new ATOM 0 HA PHE A 28 -7.505 13.779 0.488 1.00 0.45 H new ATOM 0 HB2 PHE A 28 -9.172 13.546 2.246 1.00 0.52 H new ATOM 0 HB3 PHE A 28 -10.125 14.861 1.588 1.00 0.52 H new ATOM 0 HD1 PHE A 28 -8.647 11.659 0.279 1.00 0.48 H new ATOM 0 HD2 PHE A 28 -12.054 14.206 0.514 1.00 0.60 H new ATOM 0 HE1 PHE A 28 -9.939 10.055 -1.061 1.00 0.49 H new ATOM 0 HE2 PHE A 28 -13.346 12.603 -0.823 1.00 0.60 H new ATOM 0 HZ PHE A 28 -12.293 10.525 -1.613 1.00 0.48 H new ATOM 432 N VAL A 29 -8.148 14.391 -1.777 1.00 0.46 N ATOM 433 CA VAL A 29 -8.427 14.743 -3.158 1.00 0.49 C ATOM 434 C VAL A 29 -9.616 13.921 -3.651 1.00 0.52 C ATOM 435 O VAL A 29 -9.573 12.688 -3.648 1.00 0.61 O ATOM 436 CB VAL A 29 -7.201 14.499 -4.068 1.00 0.53 C ATOM 437 CG1 VAL A 29 -7.477 14.968 -5.488 1.00 0.55 C ATOM 438 CG2 VAL A 29 -5.969 15.195 -3.511 1.00 0.64 C ATOM 0 H VAL A 29 -7.588 13.546 -1.667 1.00 0.46 H new ATOM 0 HA VAL A 29 -8.661 15.807 -3.203 1.00 0.49 H new ATOM 0 HB VAL A 29 -7.010 13.426 -4.092 1.00 0.53 H new ATOM 0 HG11 VAL A 29 -6.600 14.786 -6.108 1.00 0.55 H new ATOM 0 HG12 VAL A 29 -8.328 14.421 -5.893 1.00 0.55 H new ATOM 0 HG13 VAL A 29 -7.701 16.035 -5.482 1.00 0.55 H new ATOM 0 HG21 VAL A 29 -5.119 15.010 -4.167 1.00 0.64 H new ATOM 0 HG22 VAL A 29 -6.153 16.268 -3.450 1.00 0.64 H new ATOM 0 HG23 VAL A 29 -5.751 14.807 -2.516 1.00 0.64 H new ATOM 448 N ASP A 30 -10.671 14.611 -4.070 1.00 0.55 N ATOM 449 CA ASP A 30 -11.894 13.961 -4.537 1.00 0.63 C ATOM 450 C ASP A 30 -11.722 13.414 -5.947 1.00 0.60 C ATOM 451 O ASP A 30 -12.177 12.315 -6.260 1.00 0.72 O ATOM 452 CB ASP A 30 -13.058 14.956 -4.501 1.00 0.75 C ATOM 453 CG ASP A 30 -14.409 14.275 -4.580 1.00 0.93 C ATOM 454 OD1 ASP A 30 -15.075 14.382 -5.634 1.00 1.12 O ATOM 455 OD2 ASP A 30 -14.816 13.639 -3.583 1.00 0.99 O ATOM 0 H ASP A 30 -10.705 15.630 -4.096 1.00 0.55 H new ATOM 0 HA ASP A 30 -12.110 13.124 -3.873 1.00 0.63 H new ATOM 0 HB2 ASP A 30 -13.003 15.541 -3.583 1.00 0.75 H new ATOM 0 HB3 ASP A 30 -12.959 15.656 -5.331 1.00 0.75 H new ATOM 460 N GLU A 31 -11.056 14.181 -6.796 1.00 0.54 N ATOM 461 CA GLU A 31 -10.831 13.774 -8.174 1.00 0.59 C ATOM 462 C GLU A 31 -9.349 13.863 -8.523 1.00 0.53 C ATOM 463 O GLU A 31 -8.756 14.942 -8.495 1.00 0.53 O ATOM 464 CB GLU A 31 -11.658 14.643 -9.126 1.00 0.69 C ATOM 465 CG GLU A 31 -11.618 14.189 -10.579 1.00 0.83 C ATOM 466 CD GLU A 31 -12.032 12.743 -10.760 1.00 0.99 C ATOM 467 OE1 GLU A 31 -11.146 11.887 -10.946 1.00 1.18 O ATOM 468 OE2 GLU A 31 -13.247 12.447 -10.722 1.00 1.16 O ATOM 0 H GLU A 31 -10.661 15.090 -6.554 1.00 0.54 H new ATOM 0 HA GLU A 31 -11.148 12.737 -8.285 1.00 0.59 H new ATOM 0 HB2 GLU A 31 -12.694 14.649 -8.787 1.00 0.69 H new ATOM 0 HB3 GLU A 31 -11.298 15.670 -9.068 1.00 0.69 H new ATOM 0 HG2 GLU A 31 -12.275 14.826 -11.171 1.00 0.83 H new ATOM 0 HG3 GLU A 31 -10.609 14.323 -10.968 1.00 0.83 H new ATOM 475 N TYR A 32 -8.761 12.724 -8.857 1.00 0.50 N ATOM 476 CA TYR A 32 -7.349 12.653 -9.207 1.00 0.46 C ATOM 477 C TYR A 32 -7.158 11.636 -10.318 1.00 0.44 C ATOM 478 O TYR A 32 -7.852 10.617 -10.352 1.00 0.48 O ATOM 479 CB TYR A 32 -6.505 12.270 -7.983 1.00 0.46 C ATOM 480 CG TYR A 32 -5.019 12.520 -8.158 1.00 0.46 C ATOM 481 CD1 TYR A 32 -4.471 13.769 -7.896 1.00 0.51 C ATOM 482 CD2 TYR A 32 -4.166 11.507 -8.584 1.00 0.46 C ATOM 483 CE1 TYR A 32 -3.121 14.002 -8.052 1.00 0.55 C ATOM 484 CE2 TYR A 32 -2.814 11.733 -8.743 1.00 0.50 C ATOM 485 CZ TYR A 32 -2.297 12.980 -8.473 1.00 0.54 C ATOM 486 OH TYR A 32 -0.953 13.208 -8.630 1.00 0.60 O ATOM 0 H TYR A 32 -9.245 11.827 -8.893 1.00 0.50 H new ATOM 0 HA TYR A 32 -7.018 13.633 -9.551 1.00 0.46 H new ATOM 0 HB2 TYR A 32 -6.859 12.833 -7.119 1.00 0.46 H new ATOM 0 HB3 TYR A 32 -6.662 11.214 -7.761 1.00 0.46 H new ATOM 0 HD1 TYR A 32 -5.113 14.571 -7.564 1.00 0.51 H new ATOM 0 HD2 TYR A 32 -4.569 10.527 -8.794 1.00 0.46 H new ATOM 0 HE1 TYR A 32 -2.711 14.980 -7.846 1.00 0.55 H new ATOM 0 HE2 TYR A 32 -2.166 10.937 -9.077 1.00 0.50 H new ATOM 0 HH TYR A 32 -0.533 13.307 -7.750 1.00 0.60 H new ATOM 496 N ASP A 33 -6.232 11.917 -11.227 1.00 0.43 N ATOM 497 CA ASP A 33 -5.960 11.021 -12.348 1.00 0.42 C ATOM 498 C ASP A 33 -5.568 9.628 -11.858 1.00 0.39 C ATOM 499 O ASP A 33 -4.631 9.475 -11.071 1.00 0.42 O ATOM 500 CB ASP A 33 -4.857 11.591 -13.238 1.00 0.50 C ATOM 501 CG ASP A 33 -4.740 10.861 -14.562 1.00 0.55 C ATOM 502 OD1 ASP A 33 -4.352 9.679 -14.561 1.00 0.80 O ATOM 503 OD2 ASP A 33 -5.035 11.471 -15.612 1.00 0.60 O ATOM 0 H ASP A 33 -5.656 12.758 -11.211 1.00 0.43 H new ATOM 0 HA ASP A 33 -6.876 10.935 -12.932 1.00 0.42 H new ATOM 0 HB2 ASP A 33 -5.056 12.646 -13.426 1.00 0.50 H new ATOM 0 HB3 ASP A 33 -3.905 11.535 -12.711 1.00 0.50 H new ATOM 508 N PRO A 34 -6.295 8.595 -12.308 1.00 0.38 N ATOM 509 CA PRO A 34 -6.036 7.208 -11.913 1.00 0.41 C ATOM 510 C PRO A 34 -4.916 6.538 -12.711 1.00 0.42 C ATOM 511 O PRO A 34 -4.414 5.483 -12.316 1.00 0.52 O ATOM 512 CB PRO A 34 -7.374 6.535 -12.195 1.00 0.50 C ATOM 513 CG PRO A 34 -7.934 7.278 -13.356 1.00 0.49 C ATOM 514 CD PRO A 34 -7.452 8.699 -13.224 1.00 0.42 C ATOM 0 HA PRO A 34 -5.695 7.137 -10.880 1.00 0.41 H new ATOM 0 HB2 PRO A 34 -7.244 5.478 -12.427 1.00 0.50 H new ATOM 0 HB3 PRO A 34 -8.036 6.593 -11.331 1.00 0.50 H new ATOM 0 HG2 PRO A 34 -7.598 6.840 -14.296 1.00 0.49 H new ATOM 0 HG3 PRO A 34 -9.023 7.236 -13.355 1.00 0.49 H new ATOM 0 HD2 PRO A 34 -7.162 9.114 -14.189 1.00 0.42 H new ATOM 0 HD3 PRO A 34 -8.227 9.348 -12.817 1.00 0.42 H new ATOM 522 N THR A 35 -4.508 7.144 -13.815 1.00 0.37 N ATOM 523 CA THR A 35 -3.460 6.563 -14.640 1.00 0.42 C ATOM 524 C THR A 35 -2.097 7.189 -14.349 1.00 0.40 C ATOM 525 O THR A 35 -1.095 6.834 -14.971 1.00 0.41 O ATOM 526 CB THR A 35 -3.794 6.689 -16.142 1.00 0.52 C ATOM 527 OG1 THR A 35 -4.125 8.046 -16.477 1.00 0.74 O ATOM 528 CG2 THR A 35 -4.961 5.787 -16.508 1.00 0.89 C ATOM 0 H THR A 35 -4.882 8.029 -14.158 1.00 0.37 H new ATOM 0 HA THR A 35 -3.407 5.505 -14.384 1.00 0.42 H new ATOM 0 HB THR A 35 -2.912 6.385 -16.705 1.00 0.52 H new ATOM 0 HG1 THR A 35 -3.851 8.639 -15.747 1.00 0.74 H new ATOM 0 HG21 THR A 35 -5.181 5.890 -17.571 1.00 0.89 H new ATOM 0 HG22 THR A 35 -4.702 4.751 -16.290 1.00 0.89 H new ATOM 0 HG23 THR A 35 -5.838 6.072 -15.927 1.00 0.89 H new ATOM 536 N ILE A 36 -2.063 8.120 -13.404 1.00 0.45 N ATOM 537 CA ILE A 36 -0.819 8.770 -13.026 1.00 0.48 C ATOM 538 C ILE A 36 -0.059 7.915 -12.015 1.00 0.47 C ATOM 539 O ILE A 36 -0.636 7.413 -11.040 1.00 0.54 O ATOM 540 CB ILE A 36 -1.060 10.189 -12.450 1.00 0.54 C ATOM 541 CG1 ILE A 36 -1.310 11.185 -13.589 1.00 0.62 C ATOM 542 CG2 ILE A 36 0.115 10.646 -11.588 1.00 0.65 C ATOM 543 CD1 ILE A 36 -1.483 12.622 -13.129 1.00 0.73 C ATOM 0 H ILE A 36 -2.882 8.440 -12.887 1.00 0.45 H new ATOM 0 HA ILE A 36 -0.219 8.877 -13.930 1.00 0.48 H new ATOM 0 HB ILE A 36 -1.943 10.150 -11.812 1.00 0.54 H new ATOM 0 HG12 ILE A 36 -0.476 11.137 -14.289 1.00 0.62 H new ATOM 0 HG13 ILE A 36 -2.203 10.880 -14.135 1.00 0.62 H new ATOM 0 HG21 ILE A 36 -0.085 11.644 -11.199 1.00 0.65 H new ATOM 0 HG22 ILE A 36 0.248 9.953 -10.757 1.00 0.65 H new ATOM 0 HG23 ILE A 36 1.022 10.667 -12.191 1.00 0.65 H new ATOM 0 HD11 ILE A 36 -1.656 13.263 -13.994 1.00 0.73 H new ATOM 0 HD12 ILE A 36 -2.336 12.688 -12.453 1.00 0.73 H new ATOM 0 HD13 ILE A 36 -0.582 12.949 -12.610 1.00 0.73 H new ATOM 555 N GLU A 37 1.225 7.733 -12.278 1.00 0.49 N ATOM 556 CA GLU A 37 2.097 6.963 -11.410 1.00 0.48 C ATOM 557 C GLU A 37 3.253 7.847 -10.954 1.00 0.50 C ATOM 558 O GLU A 37 4.343 7.821 -11.532 1.00 0.79 O ATOM 559 CB GLU A 37 2.610 5.722 -12.145 1.00 0.51 C ATOM 560 CG GLU A 37 3.189 4.656 -11.228 1.00 0.57 C ATOM 561 CD GLU A 37 3.091 3.263 -11.816 1.00 0.59 C ATOM 562 OE1 GLU A 37 1.964 2.823 -12.128 1.00 0.64 O ATOM 563 OE2 GLU A 37 4.134 2.598 -11.964 1.00 0.81 O ATOM 0 H GLU A 37 1.691 8.116 -13.100 1.00 0.49 H new ATOM 0 HA GLU A 37 1.543 6.626 -10.534 1.00 0.48 H new ATOM 0 HB2 GLU A 37 1.791 5.288 -12.719 1.00 0.51 H new ATOM 0 HB3 GLU A 37 3.374 6.026 -12.860 1.00 0.51 H new ATOM 0 HG2 GLU A 37 4.234 4.887 -11.024 1.00 0.57 H new ATOM 0 HG3 GLU A 37 2.665 4.680 -10.273 1.00 0.57 H new ATOM 570 N ASP A 38 2.992 8.645 -9.927 1.00 0.30 N ATOM 571 CA ASP A 38 3.985 9.573 -9.398 1.00 0.33 C ATOM 572 C ASP A 38 4.593 9.057 -8.101 1.00 0.31 C ATOM 573 O ASP A 38 3.982 8.254 -7.395 1.00 0.34 O ATOM 574 CB ASP A 38 3.342 10.943 -9.163 1.00 0.42 C ATOM 575 CG ASP A 38 4.362 12.047 -8.981 1.00 0.54 C ATOM 576 OD1 ASP A 38 5.298 12.141 -9.807 1.00 1.29 O ATOM 577 OD2 ASP A 38 4.226 12.839 -8.027 1.00 1.12 O ATOM 0 H ASP A 38 2.096 8.669 -9.441 1.00 0.30 H new ATOM 0 HA ASP A 38 4.786 9.665 -10.132 1.00 0.33 H new ATOM 0 HB2 ASP A 38 2.697 11.186 -10.007 1.00 0.42 H new ATOM 0 HB3 ASP A 38 2.705 10.894 -8.280 1.00 0.42 H new ATOM 582 N SER A 39 5.800 9.515 -7.798 1.00 0.33 N ATOM 583 CA SER A 39 6.484 9.109 -6.582 1.00 0.35 C ATOM 584 C SER A 39 6.588 10.282 -5.614 1.00 0.27 C ATOM 585 O SER A 39 7.155 11.323 -5.949 1.00 0.35 O ATOM 586 CB SER A 39 7.879 8.578 -6.911 1.00 0.51 C ATOM 587 OG SER A 39 8.034 8.383 -8.308 1.00 0.78 O ATOM 0 H SER A 39 6.325 10.169 -8.379 1.00 0.33 H new ATOM 0 HA SER A 39 5.906 8.315 -6.110 1.00 0.35 H new ATOM 0 HB2 SER A 39 8.633 9.279 -6.553 1.00 0.51 H new ATOM 0 HB3 SER A 39 8.046 7.636 -6.388 1.00 0.51 H new ATOM 0 HG SER A 39 8.935 8.045 -8.493 1.00 0.78 H new ATOM 593 N TYR A 40 6.038 10.118 -4.420 1.00 0.32 N ATOM 594 CA TYR A 40 6.067 11.171 -3.413 1.00 0.33 C ATOM 595 C TYR A 40 7.032 10.804 -2.289 1.00 0.31 C ATOM 596 O TYR A 40 7.168 9.632 -1.933 1.00 0.35 O ATOM 597 CB TYR A 40 4.666 11.409 -2.842 1.00 0.44 C ATOM 598 CG TYR A 40 3.673 11.980 -3.831 1.00 0.53 C ATOM 599 CD1 TYR A 40 2.694 11.175 -4.400 1.00 0.68 C ATOM 600 CD2 TYR A 40 3.702 13.323 -4.180 1.00 0.67 C ATOM 601 CE1 TYR A 40 1.774 11.693 -5.290 1.00 0.79 C ATOM 602 CE2 TYR A 40 2.785 13.848 -5.071 1.00 0.80 C ATOM 603 CZ TYR A 40 1.824 13.029 -5.623 1.00 0.80 C ATOM 604 OH TYR A 40 0.905 13.550 -6.507 1.00 0.94 O ATOM 0 H TYR A 40 5.565 9.264 -4.123 1.00 0.32 H new ATOM 0 HA TYR A 40 6.411 12.089 -3.889 1.00 0.33 H new ATOM 0 HB2 TYR A 40 4.278 10.464 -2.461 1.00 0.44 H new ATOM 0 HB3 TYR A 40 4.744 12.087 -1.992 1.00 0.44 H new ATOM 0 HD1 TYR A 40 2.652 10.127 -4.142 1.00 0.68 H new ATOM 0 HD2 TYR A 40 4.453 13.968 -3.748 1.00 0.67 H new ATOM 0 HE1 TYR A 40 1.019 11.054 -5.723 1.00 0.79 H new ATOM 0 HE2 TYR A 40 2.821 14.895 -5.333 1.00 0.80 H new ATOM 0 HH TYR A 40 1.078 14.506 -6.633 1.00 0.94 H new ATOM 614 N ARG A 41 7.708 11.805 -1.740 1.00 0.33 N ATOM 615 CA ARG A 41 8.660 11.587 -0.655 1.00 0.34 C ATOM 616 C ARG A 41 8.236 12.355 0.590 1.00 0.40 C ATOM 617 O ARG A 41 7.752 13.485 0.501 1.00 0.53 O ATOM 618 CB ARG A 41 10.070 12.016 -1.076 1.00 0.40 C ATOM 619 CG ARG A 41 10.978 10.867 -1.492 1.00 0.38 C ATOM 620 CD ARG A 41 10.478 10.189 -2.758 1.00 0.36 C ATOM 621 NE ARG A 41 10.545 11.072 -3.918 1.00 0.40 N ATOM 622 CZ ARG A 41 10.683 10.645 -5.169 1.00 0.48 C ATOM 623 NH1 ARG A 41 10.768 9.345 -5.437 1.00 0.56 N ATOM 624 NH2 ARG A 41 10.726 11.522 -6.161 1.00 0.56 N ATOM 0 H ARG A 41 7.615 12.779 -2.028 1.00 0.33 H new ATOM 0 HA ARG A 41 8.672 10.521 -0.426 1.00 0.34 H new ATOM 0 HB2 ARG A 41 9.991 12.719 -1.905 1.00 0.40 H new ATOM 0 HB3 ARG A 41 10.536 12.551 -0.249 1.00 0.40 H new ATOM 0 HG2 ARG A 41 11.989 11.241 -1.654 1.00 0.38 H new ATOM 0 HG3 ARG A 41 11.034 10.136 -0.685 1.00 0.38 H new ATOM 0 HD2 ARG A 41 11.072 9.295 -2.949 1.00 0.36 H new ATOM 0 HD3 ARG A 41 9.449 9.862 -2.611 1.00 0.36 H new ATOM 0 HE ARG A 41 10.482 12.078 -3.759 1.00 0.40 H new ATOM 0 HH11 ARG A 41 10.727 8.664 -4.679 1.00 0.56 H new ATOM 0 HH12 ARG A 41 10.874 9.029 -6.401 1.00 0.56 H new ATOM 0 HH21 ARG A 41 10.653 12.520 -5.963 1.00 0.56 H new ATOM 0 HH22 ARG A 41 10.832 11.199 -7.123 1.00 0.56 H new ATOM 638 N LYS A 42 8.420 11.737 1.747 1.00 0.36 N ATOM 639 CA LYS A 42 8.051 12.354 3.016 1.00 0.44 C ATOM 640 C LYS A 42 9.068 11.983 4.095 1.00 0.36 C ATOM 641 O LYS A 42 9.461 10.825 4.211 1.00 0.32 O ATOM 642 CB LYS A 42 6.650 11.892 3.436 1.00 0.56 C ATOM 643 CG LYS A 42 6.072 12.639 4.631 1.00 0.72 C ATOM 644 CD LYS A 42 4.773 12.002 5.106 1.00 1.07 C ATOM 645 CE LYS A 42 4.247 12.662 6.374 1.00 1.33 C ATOM 646 NZ LYS A 42 3.816 14.068 6.144 1.00 1.46 N ATOM 0 H LYS A 42 8.824 10.805 1.835 1.00 0.36 H new ATOM 0 HA LYS A 42 8.045 13.437 2.893 1.00 0.44 H new ATOM 0 HB2 LYS A 42 5.974 12.008 2.589 1.00 0.56 H new ATOM 0 HB3 LYS A 42 6.687 10.828 3.671 1.00 0.56 H new ATOM 0 HG2 LYS A 42 6.797 12.643 5.445 1.00 0.72 H new ATOM 0 HG3 LYS A 42 5.892 13.679 4.360 1.00 0.72 H new ATOM 0 HD2 LYS A 42 4.023 12.078 4.319 1.00 1.07 H new ATOM 0 HD3 LYS A 42 4.936 10.940 5.290 1.00 1.07 H new ATOM 0 HE2 LYS A 42 3.406 12.085 6.759 1.00 1.33 H new ATOM 0 HE3 LYS A 42 5.023 12.643 7.139 1.00 1.33 H new ATOM 0 HZ1 LYS A 42 3.419 14.458 7.023 1.00 1.46 H new ATOM 0 HZ2 LYS A 42 4.635 14.639 5.851 1.00 1.46 H new ATOM 0 HZ3 LYS A 42 3.093 14.092 5.397 1.00 1.46 H new ATOM 660 N GLN A 43 9.502 12.957 4.879 1.00 0.46 N ATOM 661 CA GLN A 43 10.470 12.694 5.937 1.00 0.42 C ATOM 662 C GLN A 43 9.792 12.742 7.302 1.00 0.48 C ATOM 663 O GLN A 43 9.156 13.741 7.660 1.00 0.63 O ATOM 664 CB GLN A 43 11.634 13.685 5.872 1.00 0.53 C ATOM 665 CG GLN A 43 11.215 15.145 5.839 1.00 0.73 C ATOM 666 CD GLN A 43 12.291 16.037 5.259 1.00 1.26 C ATOM 667 OE1 GLN A 43 13.167 16.523 5.974 1.00 1.75 O ATOM 668 NE2 GLN A 43 12.239 16.255 3.955 1.00 1.89 N ATOM 0 H GLN A 43 9.204 13.930 4.806 1.00 0.46 H new ATOM 0 HA GLN A 43 10.875 11.693 5.789 1.00 0.42 H new ATOM 0 HB2 GLN A 43 12.280 13.525 6.735 1.00 0.53 H new ATOM 0 HB3 GLN A 43 12.229 13.470 4.984 1.00 0.53 H new ATOM 0 HG2 GLN A 43 10.304 15.246 5.248 1.00 0.73 H new ATOM 0 HG3 GLN A 43 10.978 15.476 6.850 1.00 0.73 H new ATOM 0 HE21 GLN A 43 11.497 15.834 3.397 1.00 1.89 H new ATOM 0 HE22 GLN A 43 12.941 16.844 3.508 1.00 1.89 H new ATOM 677 N VAL A 44 9.894 11.648 8.049 1.00 0.41 N ATOM 678 CA VAL A 44 9.277 11.563 9.371 1.00 0.50 C ATOM 679 C VAL A 44 10.214 10.904 10.376 1.00 0.41 C ATOM 680 O VAL A 44 10.800 9.855 10.095 1.00 0.38 O ATOM 681 CB VAL A 44 7.958 10.752 9.345 1.00 0.65 C ATOM 682 CG1 VAL A 44 7.175 10.963 10.631 1.00 0.92 C ATOM 683 CG2 VAL A 44 7.105 11.112 8.140 1.00 1.09 C ATOM 0 H VAL A 44 10.397 10.808 7.764 1.00 0.41 H new ATOM 0 HA VAL A 44 9.065 12.589 9.670 1.00 0.50 H new ATOM 0 HB VAL A 44 8.221 9.697 9.263 1.00 0.65 H new ATOM 0 HG11 VAL A 44 6.252 10.385 10.594 1.00 0.92 H new ATOM 0 HG12 VAL A 44 7.775 10.635 11.480 1.00 0.92 H new ATOM 0 HG13 VAL A 44 6.937 12.021 10.743 1.00 0.92 H new ATOM 0 HG21 VAL A 44 6.188 10.523 8.155 1.00 1.09 H new ATOM 0 HG22 VAL A 44 6.856 12.173 8.174 1.00 1.09 H new ATOM 0 HG23 VAL A 44 7.658 10.898 7.226 1.00 1.09 H new ATOM 693 N VAL A 45 10.344 11.514 11.548 1.00 0.46 N ATOM 694 CA VAL A 45 11.187 10.971 12.602 1.00 0.41 C ATOM 695 C VAL A 45 10.392 9.949 13.416 1.00 0.46 C ATOM 696 O VAL A 45 10.011 10.195 14.561 1.00 0.65 O ATOM 697 CB VAL A 45 11.725 12.076 13.541 1.00 0.43 C ATOM 698 CG1 VAL A 45 12.852 11.544 14.419 1.00 0.47 C ATOM 699 CG2 VAL A 45 12.197 13.283 12.745 1.00 0.54 C ATOM 0 H VAL A 45 9.875 12.386 11.791 1.00 0.46 H new ATOM 0 HA VAL A 45 12.044 10.492 12.129 1.00 0.41 H new ATOM 0 HB VAL A 45 10.906 12.391 14.188 1.00 0.43 H new ATOM 0 HG11 VAL A 45 13.213 12.340 15.070 1.00 0.47 H new ATOM 0 HG12 VAL A 45 12.481 10.719 15.027 1.00 0.47 H new ATOM 0 HG13 VAL A 45 13.669 11.192 13.789 1.00 0.47 H new ATOM 0 HG21 VAL A 45 12.571 14.046 13.428 1.00 0.54 H new ATOM 0 HG22 VAL A 45 12.995 12.982 12.066 1.00 0.54 H new ATOM 0 HG23 VAL A 45 11.364 13.688 12.170 1.00 0.54 H new ATOM 709 N ILE A 46 10.135 8.805 12.808 1.00 0.45 N ATOM 710 CA ILE A 46 9.370 7.750 13.453 1.00 0.52 C ATOM 711 C ILE A 46 10.266 6.824 14.258 1.00 0.47 C ATOM 712 O ILE A 46 11.301 6.366 13.765 1.00 0.47 O ATOM 713 CB ILE A 46 8.572 6.926 12.427 1.00 0.65 C ATOM 714 CG1 ILE A 46 9.407 6.660 11.165 1.00 0.79 C ATOM 715 CG2 ILE A 46 7.279 7.643 12.080 1.00 1.06 C ATOM 716 CD1 ILE A 46 8.683 5.835 10.122 1.00 0.81 C ATOM 0 H ILE A 46 10.446 8.581 11.863 1.00 0.45 H new ATOM 0 HA ILE A 46 8.672 8.240 14.131 1.00 0.52 H new ATOM 0 HB ILE A 46 8.328 5.961 12.870 1.00 0.65 H new ATOM 0 HG12 ILE A 46 9.698 7.614 10.724 1.00 0.79 H new ATOM 0 HG13 ILE A 46 10.326 6.147 11.449 1.00 0.79 H new ATOM 0 HG21 ILE A 46 6.720 7.054 11.353 1.00 1.06 H new ATOM 0 HG22 ILE A 46 6.680 7.770 12.982 1.00 1.06 H new ATOM 0 HG23 ILE A 46 7.508 8.621 11.655 1.00 1.06 H new ATOM 0 HD11 ILE A 46 9.333 5.687 9.260 1.00 0.81 H new ATOM 0 HD12 ILE A 46 8.416 4.867 10.545 1.00 0.81 H new ATOM 0 HD13 ILE A 46 7.778 6.356 9.809 1.00 0.81 H new ATOM 728 N ASP A 47 9.865 6.577 15.506 1.00 0.48 N ATOM 729 CA ASP A 47 10.604 5.709 16.425 1.00 0.50 C ATOM 730 C ASP A 47 11.978 6.281 16.731 1.00 0.45 C ATOM 731 O ASP A 47 12.931 5.541 16.967 1.00 0.53 O ATOM 732 CB ASP A 47 10.737 4.284 15.875 1.00 0.56 C ATOM 733 CG ASP A 47 9.443 3.501 15.967 1.00 0.65 C ATOM 734 OD1 ASP A 47 8.676 3.710 16.933 1.00 0.97 O ATOM 735 OD2 ASP A 47 9.181 2.668 15.072 1.00 0.79 O ATOM 0 H ASP A 47 9.016 6.974 15.909 1.00 0.48 H new ATOM 0 HA ASP A 47 10.030 5.662 17.351 1.00 0.50 H new ATOM 0 HB2 ASP A 47 11.057 4.329 14.834 1.00 0.56 H new ATOM 0 HB3 ASP A 47 11.516 3.757 16.426 1.00 0.56 H new ATOM 740 N GLY A 48 12.067 7.603 16.729 1.00 0.41 N ATOM 741 CA GLY A 48 13.324 8.270 17.012 1.00 0.43 C ATOM 742 C GLY A 48 14.310 8.194 15.862 1.00 0.43 C ATOM 743 O GLY A 48 15.484 8.532 16.017 1.00 0.60 O ATOM 0 H GLY A 48 11.286 8.230 16.535 1.00 0.41 H new ATOM 0 HA2 GLY A 48 13.128 9.316 17.247 1.00 0.43 H new ATOM 0 HA3 GLY A 48 13.774 7.823 17.899 1.00 0.43 H new ATOM 747 N GLU A 49 13.843 7.755 14.708 1.00 0.40 N ATOM 748 CA GLU A 49 14.702 7.639 13.544 1.00 0.43 C ATOM 749 C GLU A 49 14.227 8.558 12.429 1.00 0.34 C ATOM 750 O GLU A 49 13.095 8.444 11.962 1.00 0.36 O ATOM 751 CB GLU A 49 14.727 6.193 13.054 1.00 0.52 C ATOM 752 CG GLU A 49 15.241 5.207 14.091 1.00 0.72 C ATOM 753 CD GLU A 49 16.738 5.023 14.020 1.00 0.96 C ATOM 754 OE1 GLU A 49 17.475 5.829 14.628 1.00 1.30 O ATOM 755 OE2 GLU A 49 17.185 4.063 13.358 1.00 1.41 O ATOM 0 H GLU A 49 12.875 7.473 14.552 1.00 0.40 H new ATOM 0 HA GLU A 49 15.710 7.938 13.830 1.00 0.43 H new ATOM 0 HB2 GLU A 49 13.720 5.902 12.756 1.00 0.52 H new ATOM 0 HB3 GLU A 49 15.353 6.131 12.164 1.00 0.52 H new ATOM 0 HG2 GLU A 49 14.968 5.556 15.087 1.00 0.72 H new ATOM 0 HG3 GLU A 49 14.752 4.244 13.946 1.00 0.72 H new ATOM 762 N THR A 50 15.086 9.485 12.022 1.00 0.35 N ATOM 763 CA THR A 50 14.757 10.410 10.949 1.00 0.32 C ATOM 764 C THR A 50 14.944 9.722 9.608 1.00 0.30 C ATOM 765 O THR A 50 16.058 9.649 9.088 1.00 0.38 O ATOM 766 CB THR A 50 15.639 11.670 11.000 1.00 0.45 C ATOM 767 OG1 THR A 50 15.686 12.176 12.337 1.00 0.63 O ATOM 768 CG2 THR A 50 15.105 12.747 10.069 1.00 0.47 C ATOM 0 H THR A 50 16.016 9.615 12.420 1.00 0.35 H new ATOM 0 HA THR A 50 13.718 10.714 11.075 1.00 0.32 H new ATOM 0 HB THR A 50 16.643 11.396 10.674 1.00 0.45 H new ATOM 0 HG1 THR A 50 16.250 12.977 12.364 1.00 0.63 H new ATOM 0 HG21 THR A 50 15.747 13.626 10.124 1.00 0.47 H new ATOM 0 HG22 THR A 50 15.093 12.370 9.046 1.00 0.47 H new ATOM 0 HG23 THR A 50 14.092 13.017 10.368 1.00 0.47 H new ATOM 776 N CYS A 51 13.858 9.211 9.058 1.00 0.31 N ATOM 777 CA CYS A 51 13.918 8.506 7.793 1.00 0.40 C ATOM 778 C CYS A 51 13.170 9.245 6.690 1.00 0.34 C ATOM 779 O CYS A 51 12.306 10.081 6.959 1.00 0.35 O ATOM 780 CB CYS A 51 13.349 7.101 7.969 1.00 0.53 C ATOM 781 SG CYS A 51 14.149 6.158 9.289 1.00 0.71 S ATOM 0 H CYS A 51 12.926 9.271 9.467 1.00 0.31 H new ATOM 0 HA CYS A 51 14.963 8.448 7.488 1.00 0.40 H new ATOM 0 HB2 CYS A 51 12.282 7.174 8.181 1.00 0.53 H new ATOM 0 HB3 CYS A 51 13.452 6.556 7.031 1.00 0.53 H new ATOM 0 HG CYS A 51 14.094 4.889 9.010 1.00 0.71 H new ATOM 787 N LEU A 52 13.532 8.932 5.452 1.00 0.32 N ATOM 788 CA LEU A 52 12.913 9.524 4.282 1.00 0.30 C ATOM 789 C LEU A 52 12.132 8.448 3.540 1.00 0.28 C ATOM 790 O LEU A 52 12.693 7.437 3.114 1.00 0.35 O ATOM 791 CB LEU A 52 13.978 10.144 3.371 1.00 0.37 C ATOM 792 CG LEU A 52 13.440 10.837 2.117 1.00 0.40 C ATOM 793 CD1 LEU A 52 12.724 12.131 2.478 1.00 0.48 C ATOM 794 CD2 LEU A 52 14.568 11.102 1.133 1.00 0.47 C ATOM 0 H LEU A 52 14.266 8.258 5.235 1.00 0.32 H new ATOM 0 HA LEU A 52 12.232 10.318 4.589 1.00 0.30 H new ATOM 0 HB2 LEU A 52 14.551 10.869 3.950 1.00 0.37 H new ATOM 0 HB3 LEU A 52 14.672 9.361 3.065 1.00 0.37 H new ATOM 0 HG LEU A 52 12.717 10.174 1.642 1.00 0.40 H new ATOM 0 HD11 LEU A 52 12.350 12.605 1.571 1.00 0.48 H new ATOM 0 HD12 LEU A 52 11.889 11.911 3.143 1.00 0.48 H new ATOM 0 HD13 LEU A 52 13.420 12.804 2.979 1.00 0.48 H new ATOM 0 HD21 LEU A 52 14.169 11.595 0.247 1.00 0.47 H new ATOM 0 HD22 LEU A 52 15.315 11.744 1.600 1.00 0.47 H new ATOM 0 HD23 LEU A 52 15.030 10.157 0.846 1.00 0.47 H new ATOM 806 N LEU A 53 10.838 8.656 3.406 1.00 0.27 N ATOM 807 CA LEU A 53 9.975 7.692 2.749 1.00 0.29 C ATOM 808 C LEU A 53 9.855 7.962 1.254 1.00 0.25 C ATOM 809 O LEU A 53 9.605 9.092 0.830 1.00 0.30 O ATOM 810 CB LEU A 53 8.586 7.721 3.384 1.00 0.37 C ATOM 811 CG LEU A 53 8.574 7.657 4.911 1.00 0.39 C ATOM 812 CD1 LEU A 53 7.245 8.148 5.452 1.00 0.59 C ATOM 813 CD2 LEU A 53 8.843 6.240 5.385 1.00 0.87 C ATOM 0 H LEU A 53 10.357 9.489 3.745 1.00 0.27 H new ATOM 0 HA LEU A 53 10.425 6.708 2.878 1.00 0.29 H new ATOM 0 HB2 LEU A 53 8.078 8.632 3.069 1.00 0.37 H new ATOM 0 HB3 LEU A 53 8.007 6.883 2.995 1.00 0.37 H new ATOM 0 HG LEU A 53 9.364 8.306 5.288 1.00 0.39 H new ATOM 0 HD11 LEU A 53 7.254 8.096 6.541 1.00 0.59 H new ATOM 0 HD12 LEU A 53 7.084 9.180 5.140 1.00 0.59 H new ATOM 0 HD13 LEU A 53 6.441 7.522 5.065 1.00 0.59 H new ATOM 0 HD21 LEU A 53 8.831 6.212 6.475 1.00 0.87 H new ATOM 0 HD22 LEU A 53 8.073 5.574 4.997 1.00 0.87 H new ATOM 0 HD23 LEU A 53 9.819 5.915 5.025 1.00 0.87 H new ATOM 825 N ASP A 54 10.038 6.910 0.474 1.00 0.23 N ATOM 826 CA ASP A 54 9.929 6.968 -0.973 1.00 0.24 C ATOM 827 C ASP A 54 8.737 6.117 -1.392 1.00 0.24 C ATOM 828 O ASP A 54 8.806 4.890 -1.369 1.00 0.28 O ATOM 829 CB ASP A 54 11.221 6.466 -1.629 1.00 0.26 C ATOM 830 CG ASP A 54 11.101 6.299 -3.134 1.00 0.39 C ATOM 831 OD1 ASP A 54 10.737 7.275 -3.822 1.00 0.96 O ATOM 832 OD2 ASP A 54 11.415 5.203 -3.640 1.00 1.03 O ATOM 0 H ASP A 54 10.269 5.983 0.831 1.00 0.23 H new ATOM 0 HA ASP A 54 9.779 7.997 -1.299 1.00 0.24 H new ATOM 0 HB2 ASP A 54 12.028 7.166 -1.411 1.00 0.26 H new ATOM 0 HB3 ASP A 54 11.499 5.510 -1.185 1.00 0.26 H new ATOM 837 N ILE A 55 7.636 6.773 -1.726 1.00 0.24 N ATOM 838 CA ILE A 55 6.412 6.077 -2.099 1.00 0.27 C ATOM 839 C ILE A 55 6.092 6.253 -3.579 1.00 0.26 C ATOM 840 O ILE A 55 6.450 7.261 -4.183 1.00 0.34 O ATOM 841 CB ILE A 55 5.215 6.587 -1.264 1.00 0.34 C ATOM 842 CG1 ILE A 55 5.664 6.939 0.159 1.00 0.46 C ATOM 843 CG2 ILE A 55 4.107 5.542 -1.228 1.00 0.40 C ATOM 844 CD1 ILE A 55 4.564 7.521 1.019 1.00 0.68 C ATOM 0 H ILE A 55 7.564 7.790 -1.747 1.00 0.24 H new ATOM 0 HA ILE A 55 6.577 5.018 -1.899 1.00 0.27 H new ATOM 0 HB ILE A 55 4.825 7.489 -1.736 1.00 0.34 H new ATOM 0 HG12 ILE A 55 6.052 6.041 0.640 1.00 0.46 H new ATOM 0 HG13 ILE A 55 6.486 7.653 0.105 1.00 0.46 H new ATOM 0 HG21 ILE A 55 3.272 5.917 -0.636 1.00 0.40 H new ATOM 0 HG22 ILE A 55 3.768 5.336 -2.243 1.00 0.40 H new ATOM 0 HG23 ILE A 55 4.487 4.624 -0.779 1.00 0.40 H new ATOM 0 HD11 ILE A 55 4.957 7.745 2.011 1.00 0.68 H new ATOM 0 HD12 ILE A 55 4.191 8.437 0.562 1.00 0.68 H new ATOM 0 HD13 ILE A 55 3.750 6.801 1.105 1.00 0.68 H new ATOM 856 N LEU A 56 5.416 5.270 -4.155 1.00 0.30 N ATOM 857 CA LEU A 56 5.031 5.326 -5.559 1.00 0.32 C ATOM 858 C LEU A 56 3.552 4.978 -5.718 1.00 0.33 C ATOM 859 O LEU A 56 3.123 3.881 -5.344 1.00 0.39 O ATOM 860 CB LEU A 56 5.892 4.366 -6.391 1.00 0.37 C ATOM 861 CG LEU A 56 5.544 4.287 -7.880 1.00 0.42 C ATOM 862 CD1 LEU A 56 5.953 5.564 -8.599 1.00 0.45 C ATOM 863 CD2 LEU A 56 6.218 3.082 -8.518 1.00 0.46 C ATOM 0 H LEU A 56 5.122 4.422 -3.671 1.00 0.30 H new ATOM 0 HA LEU A 56 5.194 6.341 -5.920 1.00 0.32 H new ATOM 0 HB2 LEU A 56 6.935 4.667 -6.296 1.00 0.37 H new ATOM 0 HB3 LEU A 56 5.808 3.367 -5.963 1.00 0.37 H new ATOM 0 HG LEU A 56 4.464 4.174 -7.972 1.00 0.42 H new ATOM 0 HD11 LEU A 56 5.696 5.485 -9.655 1.00 0.45 H new ATOM 0 HD12 LEU A 56 5.428 6.413 -8.160 1.00 0.45 H new ATOM 0 HD13 LEU A 56 7.028 5.710 -8.497 1.00 0.45 H new ATOM 0 HD21 LEU A 56 5.961 3.039 -9.576 1.00 0.46 H new ATOM 0 HD22 LEU A 56 7.299 3.170 -8.410 1.00 0.46 H new ATOM 0 HD23 LEU A 56 5.878 2.171 -8.025 1.00 0.46 H new ATOM 875 N ASP A 57 2.777 5.915 -6.248 1.00 0.32 N ATOM 876 CA ASP A 57 1.352 5.693 -6.468 1.00 0.34 C ATOM 877 C ASP A 57 1.146 4.987 -7.799 1.00 0.36 C ATOM 878 O ASP A 57 1.148 5.615 -8.855 1.00 0.40 O ATOM 879 CB ASP A 57 0.592 7.024 -6.440 1.00 0.35 C ATOM 880 CG ASP A 57 -0.809 6.931 -7.025 1.00 0.37 C ATOM 881 OD1 ASP A 57 -1.567 5.986 -6.758 1.00 0.37 O ATOM 882 OD2 ASP A 57 -1.234 7.812 -7.782 1.00 0.44 O ATOM 0 H ASP A 57 3.110 6.836 -6.534 1.00 0.32 H new ATOM 0 HA ASP A 57 0.961 5.064 -5.669 1.00 0.34 H new ATOM 0 HB2 ASP A 57 0.525 7.374 -5.410 1.00 0.35 H new ATOM 0 HB3 ASP A 57 1.161 7.771 -6.994 1.00 0.35 H new ATOM 887 N THR A 58 0.977 3.676 -7.735 1.00 0.40 N ATOM 888 CA THR A 58 0.801 2.864 -8.930 1.00 0.44 C ATOM 889 C THR A 58 -0.487 3.198 -9.673 1.00 0.41 C ATOM 890 O THR A 58 -1.531 3.463 -9.065 1.00 0.49 O ATOM 891 CB THR A 58 0.804 1.367 -8.587 1.00 0.53 C ATOM 892 OG1 THR A 58 -0.148 1.096 -7.550 1.00 0.61 O ATOM 893 CG2 THR A 58 2.185 0.917 -8.144 1.00 0.73 C ATOM 0 H THR A 58 0.958 3.148 -6.862 1.00 0.40 H new ATOM 0 HA THR A 58 1.645 3.095 -9.580 1.00 0.44 H new ATOM 0 HB THR A 58 0.528 0.813 -9.484 1.00 0.53 H new ATOM 0 HG1 THR A 58 0.308 1.081 -6.683 1.00 0.61 H new ATOM 0 HG21 THR A 58 2.162 -0.147 -7.906 1.00 0.73 H new ATOM 0 HG22 THR A 58 2.900 1.094 -8.947 1.00 0.73 H new ATOM 0 HG23 THR A 58 2.485 1.480 -7.260 1.00 0.73 H new ATOM 901 N ALA A 59 -0.398 3.191 -10.992 1.00 0.41 N ATOM 902 CA ALA A 59 -1.539 3.459 -11.843 1.00 0.39 C ATOM 903 C ALA A 59 -2.343 2.183 -12.032 1.00 0.40 C ATOM 904 O ALA A 59 -3.522 2.122 -11.677 1.00 0.56 O ATOM 905 CB ALA A 59 -1.074 4.001 -13.184 1.00 0.43 C ATOM 0 H ALA A 59 0.466 3.000 -11.500 1.00 0.41 H new ATOM 0 HA ALA A 59 -2.174 4.209 -11.372 1.00 0.39 H new ATOM 0 HB1 ALA A 59 -1.940 4.199 -13.816 1.00 0.43 H new ATOM 0 HB2 ALA A 59 -0.518 4.926 -13.030 1.00 0.43 H new ATOM 0 HB3 ALA A 59 -0.430 3.267 -13.670 1.00 0.43 H new ATOM 911 N GLY A 60 -1.684 1.159 -12.561 1.00 0.42 N ATOM 912 CA GLY A 60 -2.340 -0.109 -12.790 1.00 0.46 C ATOM 913 C GLY A 60 -1.688 -0.899 -13.905 1.00 0.47 C ATOM 914 O GLY A 60 -1.429 -2.096 -13.760 1.00 0.72 O ATOM 0 H GLY A 60 -0.702 1.187 -12.836 1.00 0.42 H new ATOM 0 HA2 GLY A 60 -2.321 -0.697 -11.872 1.00 0.46 H new ATOM 0 HA3 GLY A 60 -3.388 0.065 -13.035 1.00 0.46 H new ATOM 918 N GLN A 61 -1.427 -0.232 -15.019 1.00 0.43 N ATOM 919 CA GLN A 61 -0.797 -0.870 -16.164 1.00 0.51 C ATOM 920 C GLN A 61 0.290 0.024 -16.744 1.00 0.44 C ATOM 921 O GLN A 61 0.063 1.208 -16.997 1.00 0.63 O ATOM 922 CB GLN A 61 -1.840 -1.180 -17.244 1.00 0.71 C ATOM 923 CG GLN A 61 -2.492 -2.547 -17.096 1.00 0.80 C ATOM 924 CD GLN A 61 -1.511 -3.688 -17.291 1.00 1.04 C ATOM 925 OE1 GLN A 61 -0.524 -3.559 -18.018 1.00 1.23 O ATOM 926 NE2 GLN A 61 -1.772 -4.811 -16.646 1.00 1.26 N ATOM 0 H GLN A 61 -1.643 0.756 -15.154 1.00 0.43 H new ATOM 0 HA GLN A 61 -0.345 -1.803 -15.826 1.00 0.51 H new ATOM 0 HB2 GLN A 61 -2.615 -0.414 -17.218 1.00 0.71 H new ATOM 0 HB3 GLN A 61 -1.364 -1.119 -18.223 1.00 0.71 H new ATOM 0 HG2 GLN A 61 -2.942 -2.625 -16.106 1.00 0.80 H new ATOM 0 HG3 GLN A 61 -3.300 -2.640 -17.822 1.00 0.80 H new ATOM 0 HE21 GLN A 61 -2.599 -4.878 -16.053 1.00 1.26 H new ATOM 0 HE22 GLN A 61 -1.146 -5.611 -16.741 1.00 1.26 H new ATOM 935 N GLU A 62 1.472 -0.537 -16.931 1.00 0.51 N ATOM 936 CA GLU A 62 2.581 0.206 -17.499 1.00 0.54 C ATOM 937 C GLU A 62 2.755 -0.184 -18.962 1.00 0.54 C ATOM 938 O GLU A 62 2.057 -1.076 -19.457 1.00 0.59 O ATOM 939 CB GLU A 62 3.871 -0.057 -16.715 1.00 0.70 C ATOM 940 CG GLU A 62 4.360 1.140 -15.910 1.00 0.81 C ATOM 941 CD GLU A 62 4.743 2.319 -16.786 1.00 0.96 C ATOM 942 OE1 GLU A 62 4.990 2.115 -17.990 1.00 1.57 O ATOM 943 OE2 GLU A 62 4.815 3.455 -16.267 1.00 1.43 O ATOM 0 H GLU A 62 1.688 -1.506 -16.697 1.00 0.51 H new ATOM 0 HA GLU A 62 2.364 1.272 -17.435 1.00 0.54 H new ATOM 0 HB2 GLU A 62 3.708 -0.896 -16.038 1.00 0.70 H new ATOM 0 HB3 GLU A 62 4.653 -0.357 -17.412 1.00 0.70 H new ATOM 0 HG2 GLU A 62 3.579 1.448 -15.214 1.00 0.81 H new ATOM 0 HG3 GLU A 62 5.221 0.843 -15.311 1.00 0.81 H new ATOM 950 N GLU A 63 3.678 0.477 -19.649 1.00 0.55 N ATOM 951 CA GLU A 63 3.936 0.192 -21.052 1.00 0.59 C ATOM 952 C GLU A 63 4.501 -1.215 -21.208 1.00 0.47 C ATOM 953 O GLU A 63 4.083 -1.971 -22.085 1.00 0.50 O ATOM 954 CB GLU A 63 4.895 1.230 -21.645 1.00 0.70 C ATOM 955 CG GLU A 63 5.263 0.952 -23.095 1.00 0.96 C ATOM 956 CD GLU A 63 5.649 2.200 -23.863 1.00 1.10 C ATOM 957 OE1 GLU A 63 6.579 2.910 -23.431 1.00 1.32 O ATOM 958 OE2 GLU A 63 5.032 2.471 -24.916 1.00 1.38 O ATOM 0 H GLU A 63 4.261 1.216 -19.255 1.00 0.55 H new ATOM 0 HA GLU A 63 2.994 0.249 -21.598 1.00 0.59 H new ATOM 0 HB2 GLU A 63 4.438 2.217 -21.576 1.00 0.70 H new ATOM 0 HB3 GLU A 63 5.805 1.258 -21.046 1.00 0.70 H new ATOM 0 HG2 GLU A 63 6.092 0.245 -23.123 1.00 0.96 H new ATOM 0 HG3 GLU A 63 4.419 0.474 -23.592 1.00 0.96 H new ATOM 965 N TYR A 64 5.428 -1.569 -20.335 1.00 0.40 N ATOM 966 CA TYR A 64 6.040 -2.887 -20.362 1.00 0.34 C ATOM 967 C TYR A 64 5.972 -3.523 -18.978 1.00 0.30 C ATOM 968 O TYR A 64 6.075 -2.830 -17.964 1.00 0.30 O ATOM 969 CB TYR A 64 7.498 -2.805 -20.826 1.00 0.36 C ATOM 970 CG TYR A 64 7.672 -2.312 -22.249 1.00 0.44 C ATOM 971 CD1 TYR A 64 7.220 -3.060 -23.331 1.00 0.59 C ATOM 972 CD2 TYR A 64 8.305 -1.103 -22.511 1.00 0.66 C ATOM 973 CE1 TYR A 64 7.395 -2.615 -24.629 1.00 0.68 C ATOM 974 CE2 TYR A 64 8.478 -0.651 -23.805 1.00 0.76 C ATOM 975 CZ TYR A 64 8.024 -1.409 -24.860 1.00 0.67 C ATOM 976 OH TYR A 64 8.211 -0.967 -26.152 1.00 0.81 O ATOM 0 H TYR A 64 5.775 -0.959 -19.595 1.00 0.40 H new ATOM 0 HA TYR A 64 5.488 -3.504 -21.071 1.00 0.34 H new ATOM 0 HB2 TYR A 64 8.044 -2.142 -20.155 1.00 0.36 H new ATOM 0 HB3 TYR A 64 7.951 -3.792 -20.738 1.00 0.36 H new ATOM 0 HD1 TYR A 64 6.724 -4.003 -23.155 1.00 0.59 H new ATOM 0 HD2 TYR A 64 8.668 -0.506 -21.688 1.00 0.66 H new ATOM 0 HE1 TYR A 64 7.041 -3.209 -25.458 1.00 0.68 H new ATOM 0 HE2 TYR A 64 8.968 0.294 -23.988 1.00 0.76 H new ATOM 0 HH TYR A 64 8.668 -0.100 -26.138 1.00 0.81 H new ATOM 986 N SER A 65 5.802 -4.839 -18.943 1.00 0.32 N ATOM 987 CA SER A 65 5.723 -5.578 -17.689 1.00 0.34 C ATOM 988 C SER A 65 7.024 -5.456 -16.903 1.00 0.30 C ATOM 989 O SER A 65 7.011 -5.323 -15.681 1.00 0.35 O ATOM 990 CB SER A 65 5.418 -7.049 -17.972 1.00 0.40 C ATOM 991 OG SER A 65 4.646 -7.183 -19.154 1.00 0.63 O ATOM 0 H SER A 65 5.716 -5.421 -19.777 1.00 0.32 H new ATOM 0 HA SER A 65 4.920 -5.152 -17.088 1.00 0.34 H new ATOM 0 HB2 SER A 65 6.350 -7.605 -18.075 1.00 0.40 H new ATOM 0 HB3 SER A 65 4.880 -7.483 -17.129 1.00 0.40 H new ATOM 0 HG SER A 65 4.463 -8.131 -19.319 1.00 0.63 H new ATOM 997 N ALA A 66 8.143 -5.476 -17.616 1.00 0.26 N ATOM 998 CA ALA A 66 9.455 -5.374 -16.994 1.00 0.26 C ATOM 999 C ALA A 66 9.610 -4.062 -16.235 1.00 0.26 C ATOM 1000 O ALA A 66 10.340 -3.987 -15.248 1.00 0.32 O ATOM 1001 CB ALA A 66 10.547 -5.513 -18.041 1.00 0.26 C ATOM 0 H ALA A 66 8.167 -5.563 -18.632 1.00 0.26 H new ATOM 0 HA ALA A 66 9.549 -6.188 -16.275 1.00 0.26 H new ATOM 0 HB1 ALA A 66 11.523 -5.435 -17.562 1.00 0.26 H new ATOM 0 HB2 ALA A 66 10.460 -6.483 -18.531 1.00 0.26 H new ATOM 0 HB3 ALA A 66 10.443 -4.721 -18.783 1.00 0.26 H new ATOM 1007 N MET A 67 8.901 -3.037 -16.682 1.00 0.25 N ATOM 1008 CA MET A 67 8.963 -1.736 -16.035 1.00 0.30 C ATOM 1009 C MET A 67 8.207 -1.768 -14.711 1.00 0.30 C ATOM 1010 O MET A 67 8.639 -1.180 -13.723 1.00 0.34 O ATOM 1011 CB MET A 67 8.392 -0.658 -16.953 1.00 0.36 C ATOM 1012 CG MET A 67 9.289 -0.350 -18.136 1.00 0.50 C ATOM 1013 SD MET A 67 8.432 0.544 -19.449 1.00 0.63 S ATOM 1014 CE MET A 67 8.099 2.100 -18.631 1.00 0.69 C ATOM 0 H MET A 67 8.278 -3.081 -17.488 1.00 0.25 H new ATOM 0 HA MET A 67 10.007 -1.496 -15.831 1.00 0.30 H new ATOM 0 HB2 MET A 67 7.416 -0.979 -17.318 1.00 0.36 H new ATOM 0 HB3 MET A 67 8.233 0.254 -16.378 1.00 0.36 H new ATOM 0 HG2 MET A 67 10.140 0.240 -17.797 1.00 0.50 H new ATOM 0 HG3 MET A 67 9.687 -1.282 -18.537 1.00 0.50 H new ATOM 0 HE1 MET A 67 7.555 2.758 -19.309 1.00 0.69 H new ATOM 0 HE2 MET A 67 7.498 1.921 -17.739 1.00 0.69 H new ATOM 0 HE3 MET A 67 9.040 2.570 -18.346 1.00 0.69 H new ATOM 1024 N ARG A 68 7.083 -2.479 -14.701 1.00 0.31 N ATOM 1025 CA ARG A 68 6.266 -2.617 -13.500 1.00 0.36 C ATOM 1026 C ARG A 68 6.981 -3.508 -12.487 1.00 0.37 C ATOM 1027 O ARG A 68 7.035 -3.204 -11.293 1.00 0.41 O ATOM 1028 CB ARG A 68 4.902 -3.219 -13.853 1.00 0.43 C ATOM 1029 CG ARG A 68 4.062 -3.596 -12.643 1.00 0.55 C ATOM 1030 CD ARG A 68 3.081 -4.705 -12.976 1.00 0.62 C ATOM 1031 NE ARG A 68 3.764 -5.928 -13.402 1.00 0.64 N ATOM 1032 CZ ARG A 68 3.171 -6.941 -14.029 1.00 0.76 C ATOM 1033 NH1 ARG A 68 1.876 -6.894 -14.305 1.00 0.90 N ATOM 1034 NH2 ARG A 68 3.890 -8.001 -14.377 1.00 0.86 N ATOM 0 H ARG A 68 6.716 -2.971 -15.516 1.00 0.31 H new ATOM 0 HA ARG A 68 6.112 -1.630 -13.064 1.00 0.36 H new ATOM 0 HB2 ARG A 68 4.347 -2.504 -14.460 1.00 0.43 H new ATOM 0 HB3 ARG A 68 5.056 -4.106 -14.467 1.00 0.43 H new ATOM 0 HG2 ARG A 68 4.714 -3.916 -11.831 1.00 0.55 H new ATOM 0 HG3 ARG A 68 3.518 -2.721 -12.289 1.00 0.55 H new ATOM 0 HD2 ARG A 68 2.465 -4.919 -12.103 1.00 0.62 H new ATOM 0 HD3 ARG A 68 2.409 -4.370 -13.766 1.00 0.62 H new ATOM 0 HE ARG A 68 4.761 -6.009 -13.205 1.00 0.64 H new ATOM 0 HH11 ARG A 68 1.327 -6.078 -14.037 1.00 0.90 H new ATOM 0 HH12 ARG A 68 1.428 -7.674 -14.786 1.00 0.90 H new ATOM 0 HH21 ARG A 68 4.887 -8.034 -14.163 1.00 0.86 H new ATOM 0 HH22 ARG A 68 3.446 -8.783 -14.858 1.00 0.86 H new ATOM 1048 N ASP A 69 7.541 -4.603 -12.988 1.00 0.37 N ATOM 1049 CA ASP A 69 8.266 -5.564 -12.161 1.00 0.42 C ATOM 1050 C ASP A 69 9.550 -4.957 -11.597 1.00 0.36 C ATOM 1051 O ASP A 69 10.098 -5.454 -10.610 1.00 0.42 O ATOM 1052 CB ASP A 69 8.614 -6.815 -12.977 1.00 0.58 C ATOM 1053 CG ASP A 69 7.435 -7.747 -13.189 1.00 0.78 C ATOM 1054 OD1 ASP A 69 7.654 -8.980 -13.237 1.00 0.94 O ATOM 1055 OD2 ASP A 69 6.291 -7.263 -13.318 1.00 1.41 O ATOM 0 H ASP A 69 7.506 -4.851 -13.977 1.00 0.37 H new ATOM 0 HA ASP A 69 7.616 -5.837 -11.330 1.00 0.42 H new ATOM 0 HB2 ASP A 69 9.004 -6.509 -13.948 1.00 0.58 H new ATOM 0 HB3 ASP A 69 9.411 -7.359 -12.470 1.00 0.58 H new ATOM 1060 N GLN A 70 10.019 -3.878 -12.219 1.00 0.32 N ATOM 1061 CA GLN A 70 11.240 -3.203 -11.792 1.00 0.31 C ATOM 1062 C GLN A 70 11.125 -2.702 -10.357 1.00 0.26 C ATOM 1063 O GLN A 70 11.920 -3.086 -9.496 1.00 0.33 O ATOM 1064 CB GLN A 70 11.560 -2.033 -12.726 1.00 0.34 C ATOM 1065 CG GLN A 70 12.880 -1.354 -12.408 1.00 0.43 C ATOM 1066 CD GLN A 70 12.953 0.074 -12.911 1.00 0.96 C ATOM 1067 OE1 GLN A 70 13.379 0.332 -14.038 1.00 1.51 O ATOM 1068 NE2 GLN A 70 12.541 1.012 -12.075 1.00 1.30 N ATOM 0 H GLN A 70 9.567 -3.450 -13.027 1.00 0.32 H new ATOM 0 HA GLN A 70 12.051 -3.930 -11.837 1.00 0.31 H new ATOM 0 HB2 GLN A 70 11.584 -2.394 -13.754 1.00 0.34 H new ATOM 0 HB3 GLN A 70 10.757 -1.298 -12.665 1.00 0.34 H new ATOM 0 HG2 GLN A 70 13.034 -1.361 -11.329 1.00 0.43 H new ATOM 0 HG3 GLN A 70 13.693 -1.930 -12.850 1.00 0.43 H new ATOM 0 HE21 GLN A 70 12.195 0.755 -11.150 1.00 1.30 H new ATOM 0 HE22 GLN A 70 12.569 1.992 -12.355 1.00 1.30 H new ATOM 1077 N TYR A 71 10.122 -1.871 -10.088 1.00 0.23 N ATOM 1078 CA TYR A 71 9.941 -1.330 -8.747 1.00 0.27 C ATOM 1079 C TYR A 71 9.369 -2.375 -7.798 1.00 0.24 C ATOM 1080 O TYR A 71 9.241 -2.130 -6.600 1.00 0.29 O ATOM 1081 CB TYR A 71 9.078 -0.059 -8.743 1.00 0.37 C ATOM 1082 CG TYR A 71 7.826 -0.103 -9.602 1.00 0.44 C ATOM 1083 CD1 TYR A 71 6.623 -0.589 -9.099 1.00 0.53 C ATOM 1084 CD2 TYR A 71 7.842 0.388 -10.902 1.00 0.67 C ATOM 1085 CE1 TYR A 71 5.474 -0.586 -9.869 1.00 0.77 C ATOM 1086 CE2 TYR A 71 6.702 0.388 -11.681 1.00 0.86 C ATOM 1087 CZ TYR A 71 5.519 -0.097 -11.161 1.00 0.90 C ATOM 1088 OH TYR A 71 4.377 -0.077 -11.931 1.00 1.17 O ATOM 0 H TYR A 71 9.431 -1.561 -10.772 1.00 0.23 H new ATOM 0 HA TYR A 71 10.931 -1.050 -8.388 1.00 0.27 H new ATOM 0 HB2 TYR A 71 8.783 0.153 -7.715 1.00 0.37 H new ATOM 0 HB3 TYR A 71 9.694 0.776 -9.076 1.00 0.37 H new ATOM 0 HD1 TYR A 71 6.586 -0.975 -8.091 1.00 0.53 H new ATOM 0 HD2 TYR A 71 8.763 0.777 -11.310 1.00 0.67 H new ATOM 0 HE1 TYR A 71 4.547 -0.964 -9.463 1.00 0.77 H new ATOM 0 HE2 TYR A 71 6.736 0.766 -12.692 1.00 0.86 H new ATOM 0 HH TYR A 71 4.095 0.851 -12.074 1.00 1.17 H new ATOM 1098 N MET A 72 9.032 -3.545 -8.331 1.00 0.24 N ATOM 1099 CA MET A 72 8.509 -4.629 -7.509 1.00 0.28 C ATOM 1100 C MET A 72 9.652 -5.277 -6.742 1.00 0.31 C ATOM 1101 O MET A 72 9.455 -5.864 -5.681 1.00 0.44 O ATOM 1102 CB MET A 72 7.805 -5.685 -8.363 1.00 0.36 C ATOM 1103 CG MET A 72 6.352 -5.358 -8.677 1.00 0.39 C ATOM 1104 SD MET A 72 5.534 -6.664 -9.616 1.00 0.51 S ATOM 1105 CE MET A 72 3.811 -6.232 -9.375 1.00 0.70 C ATOM 0 H MET A 72 9.111 -3.766 -9.324 1.00 0.24 H new ATOM 0 HA MET A 72 7.780 -4.211 -6.815 1.00 0.28 H new ATOM 0 HB2 MET A 72 8.351 -5.803 -9.299 1.00 0.36 H new ATOM 0 HB3 MET A 72 7.848 -6.643 -7.846 1.00 0.36 H new ATOM 0 HG2 MET A 72 5.811 -5.192 -7.745 1.00 0.39 H new ATOM 0 HG3 MET A 72 6.307 -4.427 -9.242 1.00 0.39 H new ATOM 0 HE1 MET A 72 3.179 -6.950 -9.898 1.00 0.70 H new ATOM 0 HE2 MET A 72 3.577 -6.250 -8.311 1.00 0.70 H new ATOM 0 HE3 MET A 72 3.628 -5.233 -9.770 1.00 0.70 H new ATOM 1115 N ARG A 73 10.853 -5.157 -7.293 1.00 0.25 N ATOM 1116 CA ARG A 73 12.041 -5.727 -6.674 1.00 0.30 C ATOM 1117 C ARG A 73 12.651 -4.742 -5.687 1.00 0.27 C ATOM 1118 O ARG A 73 13.063 -5.119 -4.589 1.00 0.34 O ATOM 1119 CB ARG A 73 13.081 -6.083 -7.739 1.00 0.37 C ATOM 1120 CG ARG A 73 12.521 -6.852 -8.926 1.00 0.45 C ATOM 1121 CD ARG A 73 13.607 -7.203 -9.935 1.00 0.50 C ATOM 1122 NE ARG A 73 14.493 -6.071 -10.214 1.00 0.80 N ATOM 1123 CZ ARG A 73 15.253 -5.961 -11.302 1.00 0.81 C ATOM 1124 NH1 ARG A 73 15.240 -6.903 -12.236 1.00 1.19 N ATOM 1125 NH2 ARG A 73 16.041 -4.900 -11.446 1.00 1.29 N ATOM 0 H ARG A 73 11.030 -4.668 -8.171 1.00 0.25 H new ATOM 0 HA ARG A 73 11.744 -6.632 -6.144 1.00 0.30 H new ATOM 0 HB2 ARG A 73 13.543 -5.164 -8.101 1.00 0.37 H new ATOM 0 HB3 ARG A 73 13.870 -6.676 -7.276 1.00 0.37 H new ATOM 0 HG2 ARG A 73 12.043 -7.766 -8.574 1.00 0.45 H new ATOM 0 HG3 ARG A 73 11.750 -6.256 -9.414 1.00 0.45 H new ATOM 0 HD2 ARG A 73 14.196 -8.038 -9.556 1.00 0.50 H new ATOM 0 HD3 ARG A 73 13.143 -7.536 -10.864 1.00 0.50 H new ATOM 0 HE ARG A 73 14.531 -5.316 -9.529 1.00 0.80 H new ATOM 0 HH11 ARG A 73 14.643 -7.723 -12.125 1.00 1.19 H new ATOM 0 HH12 ARG A 73 15.827 -6.807 -13.065 1.00 1.19 H new ATOM 0 HH21 ARG A 73 16.060 -4.178 -10.726 1.00 1.29 H new ATOM 0 HH22 ARG A 73 16.626 -4.808 -12.276 1.00 1.29 H new ATOM 1139 N THR A 74 12.700 -3.476 -6.087 1.00 0.23 N ATOM 1140 CA THR A 74 13.274 -2.421 -5.263 1.00 0.23 C ATOM 1141 C THR A 74 12.407 -2.103 -4.042 1.00 0.20 C ATOM 1142 O THR A 74 12.889 -1.533 -3.062 1.00 0.24 O ATOM 1143 CB THR A 74 13.469 -1.138 -6.089 1.00 0.26 C ATOM 1144 OG1 THR A 74 13.500 -1.455 -7.491 1.00 0.64 O ATOM 1145 CG2 THR A 74 14.756 -0.431 -5.693 1.00 0.72 C ATOM 0 H THR A 74 12.345 -3.154 -6.987 1.00 0.23 H new ATOM 0 HA THR A 74 14.238 -2.788 -4.910 1.00 0.23 H new ATOM 0 HB THR A 74 12.631 -0.471 -5.888 1.00 0.26 H new ATOM 0 HG1 THR A 74 13.623 -0.633 -8.010 1.00 0.64 H new ATOM 0 HG21 THR A 74 14.873 0.473 -6.290 1.00 0.72 H new ATOM 0 HG22 THR A 74 14.715 -0.166 -4.637 1.00 0.72 H new ATOM 0 HG23 THR A 74 15.604 -1.093 -5.868 1.00 0.72 H new ATOM 1153 N GLY A 75 11.133 -2.466 -4.108 1.00 0.17 N ATOM 1154 CA GLY A 75 10.230 -2.204 -3.008 1.00 0.16 C ATOM 1155 C GLY A 75 10.549 -3.040 -1.784 1.00 0.14 C ATOM 1156 O GLY A 75 10.621 -4.266 -1.867 1.00 0.19 O ATOM 0 H GLY A 75 10.709 -2.938 -4.907 1.00 0.17 H new ATOM 0 HA2 GLY A 75 10.279 -1.147 -2.745 1.00 0.16 H new ATOM 0 HA3 GLY A 75 9.207 -2.406 -3.326 1.00 0.16 H new ATOM 1160 N GLU A 76 10.758 -2.377 -0.653 1.00 0.16 N ATOM 1161 CA GLU A 76 11.060 -3.065 0.591 1.00 0.20 C ATOM 1162 C GLU A 76 9.768 -3.404 1.319 1.00 0.23 C ATOM 1163 O GLU A 76 9.627 -4.487 1.888 1.00 0.34 O ATOM 1164 CB GLU A 76 11.963 -2.203 1.472 1.00 0.26 C ATOM 1165 CG GLU A 76 13.356 -2.022 0.895 1.00 0.30 C ATOM 1166 CD GLU A 76 14.238 -1.108 1.725 1.00 0.34 C ATOM 1167 OE1 GLU A 76 14.145 0.127 1.557 1.00 0.43 O ATOM 1168 OE2 GLU A 76 15.042 -1.624 2.533 1.00 0.54 O ATOM 0 H GLU A 76 10.723 -1.361 -0.574 1.00 0.16 H new ATOM 0 HA GLU A 76 11.589 -3.990 0.365 1.00 0.20 H new ATOM 0 HB2 GLU A 76 11.502 -1.225 1.608 1.00 0.26 H new ATOM 0 HB3 GLU A 76 12.041 -2.659 2.459 1.00 0.26 H new ATOM 0 HG2 GLU A 76 13.835 -2.997 0.809 1.00 0.30 H new ATOM 0 HG3 GLU A 76 13.274 -1.617 -0.114 1.00 0.30 H new ATOM 1175 N GLY A 77 8.825 -2.467 1.280 1.00 0.21 N ATOM 1176 CA GLY A 77 7.539 -2.671 1.911 1.00 0.23 C ATOM 1177 C GLY A 77 6.414 -2.374 0.946 1.00 0.17 C ATOM 1178 O GLY A 77 6.477 -1.395 0.198 1.00 0.26 O ATOM 0 H GLY A 77 8.933 -1.564 0.818 1.00 0.21 H new ATOM 0 HA2 GLY A 77 7.461 -3.700 2.262 1.00 0.23 H new ATOM 0 HA3 GLY A 77 7.452 -2.028 2.787 1.00 0.23 H new ATOM 1182 N PHE A 78 5.392 -3.205 0.939 1.00 0.11 N ATOM 1183 CA PHE A 78 4.278 -2.999 0.033 1.00 0.17 C ATOM 1184 C PHE A 78 2.974 -2.833 0.789 1.00 0.17 C ATOM 1185 O PHE A 78 2.636 -3.637 1.664 1.00 0.20 O ATOM 1186 CB PHE A 78 4.176 -4.158 -0.957 1.00 0.24 C ATOM 1187 CG PHE A 78 5.402 -4.324 -1.799 1.00 0.28 C ATOM 1188 CD1 PHE A 78 6.349 -5.278 -1.479 1.00 0.29 C ATOM 1189 CD2 PHE A 78 5.610 -3.521 -2.904 1.00 0.43 C ATOM 1190 CE1 PHE A 78 7.485 -5.428 -2.247 1.00 0.35 C ATOM 1191 CE2 PHE A 78 6.743 -3.665 -3.677 1.00 0.48 C ATOM 1192 CZ PHE A 78 7.683 -4.621 -3.348 1.00 0.40 C ATOM 0 H PHE A 78 5.308 -4.022 1.544 1.00 0.11 H new ATOM 0 HA PHE A 78 4.463 -2.078 -0.520 1.00 0.17 H new ATOM 0 HB2 PHE A 78 3.993 -5.081 -0.408 1.00 0.24 H new ATOM 0 HB3 PHE A 78 3.316 -3.998 -1.607 1.00 0.24 H new ATOM 0 HD1 PHE A 78 6.198 -5.913 -0.618 1.00 0.29 H new ATOM 0 HD2 PHE A 78 4.877 -2.772 -3.165 1.00 0.43 H new ATOM 0 HE1 PHE A 78 8.219 -6.177 -1.987 1.00 0.35 H new ATOM 0 HE2 PHE A 78 6.895 -3.031 -4.538 1.00 0.48 H new ATOM 0 HZ PHE A 78 8.571 -4.737 -3.951 1.00 0.40 H new ATOM 1202 N LEU A 79 2.250 -1.779 0.450 1.00 0.19 N ATOM 1203 CA LEU A 79 0.975 -1.500 1.076 1.00 0.20 C ATOM 1204 C LEU A 79 -0.138 -2.036 0.191 1.00 0.21 C ATOM 1205 O LEU A 79 -0.372 -1.526 -0.907 1.00 0.24 O ATOM 1206 CB LEU A 79 0.808 0.005 1.299 1.00 0.23 C ATOM 1207 CG LEU A 79 -0.208 0.396 2.372 1.00 0.26 C ATOM 1208 CD1 LEU A 79 0.358 0.150 3.762 1.00 0.37 C ATOM 1209 CD2 LEU A 79 -0.612 1.852 2.209 1.00 0.27 C ATOM 0 H LEU A 79 2.528 -1.101 -0.260 1.00 0.19 H new ATOM 0 HA LEU A 79 0.931 -1.990 2.049 1.00 0.20 H new ATOM 0 HB2 LEU A 79 1.777 0.426 1.568 1.00 0.23 H new ATOM 0 HB3 LEU A 79 0.512 0.465 0.356 1.00 0.23 H new ATOM 0 HG LEU A 79 -1.095 -0.226 2.251 1.00 0.26 H new ATOM 0 HD11 LEU A 79 -0.381 0.435 4.511 1.00 0.37 H new ATOM 0 HD12 LEU A 79 0.600 -0.907 3.874 1.00 0.37 H new ATOM 0 HD13 LEU A 79 1.261 0.746 3.898 1.00 0.37 H new ATOM 0 HD21 LEU A 79 -1.336 2.117 2.980 1.00 0.27 H new ATOM 0 HD22 LEU A 79 0.269 2.487 2.305 1.00 0.27 H new ATOM 0 HD23 LEU A 79 -1.059 1.998 1.226 1.00 0.27 H new ATOM 1221 N CYS A 80 -0.802 -3.078 0.659 1.00 0.21 N ATOM 1222 CA CYS A 80 -1.872 -3.707 -0.099 1.00 0.25 C ATOM 1223 C CYS A 80 -3.234 -3.188 0.346 1.00 0.24 C ATOM 1224 O CYS A 80 -3.836 -3.706 1.289 1.00 0.28 O ATOM 1225 CB CYS A 80 -1.800 -5.219 0.075 1.00 0.31 C ATOM 1226 SG CYS A 80 -0.111 -5.864 0.075 1.00 0.61 S ATOM 0 H CYS A 80 -0.619 -3.509 1.565 1.00 0.21 H new ATOM 0 HA CYS A 80 -1.746 -3.458 -1.153 1.00 0.25 H new ATOM 0 HB2 CYS A 80 -2.285 -5.493 1.012 1.00 0.31 H new ATOM 0 HB3 CYS A 80 -2.363 -5.697 -0.727 1.00 0.31 H new ATOM 0 HG CYS A 80 -0.123 -7.112 0.438 1.00 0.61 H new ATOM 1232 N VAL A 81 -3.707 -2.154 -0.329 1.00 0.29 N ATOM 1233 CA VAL A 81 -4.988 -1.555 -0.001 1.00 0.33 C ATOM 1234 C VAL A 81 -6.087 -2.053 -0.929 1.00 0.30 C ATOM 1235 O VAL A 81 -5.891 -2.158 -2.143 1.00 0.36 O ATOM 1236 CB VAL A 81 -4.937 -0.016 -0.093 1.00 0.44 C ATOM 1237 CG1 VAL A 81 -6.136 0.602 0.611 1.00 0.59 C ATOM 1238 CG2 VAL A 81 -3.629 0.520 0.471 1.00 0.42 C ATOM 0 H VAL A 81 -3.221 -1.712 -1.109 1.00 0.29 H new ATOM 0 HA VAL A 81 -5.210 -1.850 1.025 1.00 0.33 H new ATOM 0 HB VAL A 81 -4.982 0.266 -1.145 1.00 0.44 H new ATOM 0 HG11 VAL A 81 -6.082 1.688 0.535 1.00 0.59 H new ATOM 0 HG12 VAL A 81 -7.055 0.250 0.141 1.00 0.59 H new ATOM 0 HG13 VAL A 81 -6.131 0.311 1.661 1.00 0.59 H new ATOM 0 HG21 VAL A 81 -3.618 1.607 0.394 1.00 0.42 H new ATOM 0 HG22 VAL A 81 -3.538 0.229 1.517 1.00 0.42 H new ATOM 0 HG23 VAL A 81 -2.793 0.108 -0.094 1.00 0.42 H new ATOM 1248 N PHE A 82 -7.233 -2.371 -0.354 1.00 0.26 N ATOM 1249 CA PHE A 82 -8.379 -2.827 -1.117 1.00 0.26 C ATOM 1250 C PHE A 82 -9.605 -2.031 -0.689 1.00 0.25 C ATOM 1251 O PHE A 82 -9.537 -1.257 0.267 1.00 0.25 O ATOM 1252 CB PHE A 82 -8.614 -4.336 -0.925 1.00 0.28 C ATOM 1253 CG PHE A 82 -9.062 -4.724 0.456 1.00 0.27 C ATOM 1254 CD1 PHE A 82 -8.137 -5.049 1.432 1.00 0.31 C ATOM 1255 CD2 PHE A 82 -10.409 -4.776 0.771 1.00 0.30 C ATOM 1256 CE1 PHE A 82 -8.549 -5.419 2.697 1.00 0.34 C ATOM 1257 CE2 PHE A 82 -10.824 -5.142 2.036 1.00 0.30 C ATOM 1258 CZ PHE A 82 -9.893 -5.463 2.998 1.00 0.30 C ATOM 0 H PHE A 82 -7.394 -2.320 0.652 1.00 0.26 H new ATOM 0 HA PHE A 82 -8.188 -2.664 -2.178 1.00 0.26 H new ATOM 0 HB2 PHE A 82 -9.363 -4.669 -1.644 1.00 0.28 H new ATOM 0 HB3 PHE A 82 -7.691 -4.867 -1.157 1.00 0.28 H new ATOM 0 HD1 PHE A 82 -7.082 -5.013 1.202 1.00 0.31 H new ATOM 0 HD2 PHE A 82 -11.143 -4.528 0.019 1.00 0.30 H new ATOM 0 HE1 PHE A 82 -7.818 -5.674 3.450 1.00 0.34 H new ATOM 0 HE2 PHE A 82 -11.878 -5.176 2.271 1.00 0.30 H new ATOM 0 HZ PHE A 82 -10.216 -5.749 3.988 1.00 0.30 H new ATOM 1268 N ALA A 83 -10.709 -2.205 -1.395 1.00 0.28 N ATOM 1269 CA ALA A 83 -11.937 -1.500 -1.068 1.00 0.27 C ATOM 1270 C ALA A 83 -12.932 -2.442 -0.399 1.00 0.28 C ATOM 1271 O ALA A 83 -13.302 -3.467 -0.967 1.00 0.31 O ATOM 1272 CB ALA A 83 -12.538 -0.897 -2.325 1.00 0.32 C ATOM 0 H ALA A 83 -10.780 -2.829 -2.199 1.00 0.28 H new ATOM 0 HA ALA A 83 -11.705 -0.697 -0.369 1.00 0.27 H new ATOM 0 HB1 ALA A 83 -13.458 -0.370 -2.072 1.00 0.32 H new ATOM 0 HB2 ALA A 83 -11.829 -0.197 -2.768 1.00 0.32 H new ATOM 0 HB3 ALA A 83 -12.759 -1.690 -3.039 1.00 0.32 H new ATOM 1278 N ILE A 84 -13.371 -2.090 0.805 1.00 0.28 N ATOM 1279 CA ILE A 84 -14.320 -2.923 1.543 1.00 0.31 C ATOM 1280 C ILE A 84 -15.686 -2.972 0.848 1.00 0.31 C ATOM 1281 O ILE A 84 -16.499 -3.864 1.104 1.00 0.33 O ATOM 1282 CB ILE A 84 -14.502 -2.436 2.998 1.00 0.37 C ATOM 1283 CG1 ILE A 84 -15.018 -0.996 3.019 1.00 0.54 C ATOM 1284 CG2 ILE A 84 -13.189 -2.550 3.762 1.00 0.53 C ATOM 1285 CD1 ILE A 84 -15.580 -0.571 4.356 1.00 0.78 C ATOM 0 H ILE A 84 -13.088 -1.239 1.290 1.00 0.28 H new ATOM 0 HA ILE A 84 -13.896 -3.927 1.562 1.00 0.31 H new ATOM 0 HB ILE A 84 -15.241 -3.070 3.488 1.00 0.37 H new ATOM 0 HG12 ILE A 84 -14.204 -0.324 2.747 1.00 0.54 H new ATOM 0 HG13 ILE A 84 -15.791 -0.885 2.258 1.00 0.54 H new ATOM 0 HG21 ILE A 84 -13.332 -2.203 4.785 1.00 0.53 H new ATOM 0 HG22 ILE A 84 -12.864 -3.590 3.773 1.00 0.53 H new ATOM 0 HG23 ILE A 84 -12.430 -1.938 3.275 1.00 0.53 H new ATOM 0 HD11 ILE A 84 -15.926 0.461 4.294 1.00 0.78 H new ATOM 0 HD12 ILE A 84 -16.416 -1.218 4.622 1.00 0.78 H new ATOM 0 HD13 ILE A 84 -14.804 -0.648 5.118 1.00 0.78 H new ATOM 1297 N ASN A 85 -15.926 -2.023 -0.046 1.00 0.33 N ATOM 1298 CA ASN A 85 -17.182 -1.959 -0.777 1.00 0.38 C ATOM 1299 C ASN A 85 -17.022 -2.590 -2.158 1.00 0.36 C ATOM 1300 O ASN A 85 -17.945 -2.573 -2.973 1.00 0.48 O ATOM 1301 CB ASN A 85 -17.655 -0.507 -0.914 1.00 0.51 C ATOM 1302 CG ASN A 85 -16.797 0.320 -1.861 1.00 0.62 C ATOM 1303 OD1 ASN A 85 -15.587 0.112 -1.978 1.00 0.68 O ATOM 1304 ND2 ASN A 85 -17.418 1.268 -2.538 1.00 0.82 N ATOM 0 H ASN A 85 -15.264 -1.284 -0.283 1.00 0.33 H new ATOM 0 HA ASN A 85 -17.933 -2.517 -0.218 1.00 0.38 H new ATOM 0 HB2 ASN A 85 -18.686 -0.500 -1.269 1.00 0.51 H new ATOM 0 HB3 ASN A 85 -17.654 -0.038 0.070 1.00 0.51 H new ATOM 0 HD21 ASN A 85 -16.895 1.859 -3.185 1.00 0.82 H new ATOM 0 HD22 ASN A 85 -18.420 1.410 -2.414 1.00 0.82 H new ATOM 1311 N ASN A 86 -15.841 -3.142 -2.406 1.00 0.34 N ATOM 1312 CA ASN A 86 -15.533 -3.780 -3.682 1.00 0.39 C ATOM 1313 C ASN A 86 -14.822 -5.108 -3.445 1.00 0.33 C ATOM 1314 O ASN A 86 -13.592 -5.165 -3.369 1.00 0.33 O ATOM 1315 CB ASN A 86 -14.656 -2.858 -4.537 1.00 0.53 C ATOM 1316 CG ASN A 86 -14.569 -3.292 -5.991 1.00 0.64 C ATOM 1317 OD1 ASN A 86 -13.727 -4.112 -6.361 1.00 1.07 O ATOM 1318 ND2 ASN A 86 -15.422 -2.722 -6.829 1.00 0.98 N ATOM 0 H ASN A 86 -15.074 -3.161 -1.734 1.00 0.34 H new ATOM 0 HA ASN A 86 -16.465 -3.969 -4.214 1.00 0.39 H new ATOM 0 HB2 ASN A 86 -15.053 -1.844 -4.491 1.00 0.53 H new ATOM 0 HB3 ASN A 86 -13.652 -2.827 -4.113 1.00 0.53 H new ATOM 0 HD21 ASN A 86 -15.397 -2.958 -7.821 1.00 0.98 H new ATOM 0 HD22 ASN A 86 -16.104 -2.048 -6.482 1.00 0.98 H new ATOM 1325 N THR A 87 -15.602 -6.174 -3.337 1.00 0.33 N ATOM 1326 CA THR A 87 -15.071 -7.508 -3.085 1.00 0.32 C ATOM 1327 C THR A 87 -14.104 -7.957 -4.179 1.00 0.30 C ATOM 1328 O THR A 87 -13.185 -8.738 -3.920 1.00 0.30 O ATOM 1329 CB THR A 87 -16.220 -8.522 -2.961 1.00 0.38 C ATOM 1330 OG1 THR A 87 -17.381 -7.859 -2.439 1.00 0.65 O ATOM 1331 CG2 THR A 87 -15.835 -9.673 -2.043 1.00 0.57 C ATOM 0 H THR A 87 -16.618 -6.140 -3.421 1.00 0.33 H new ATOM 0 HA THR A 87 -14.516 -7.464 -2.148 1.00 0.32 H new ATOM 0 HB THR A 87 -16.433 -8.929 -3.949 1.00 0.38 H new ATOM 0 HG1 THR A 87 -18.117 -8.502 -2.360 1.00 0.65 H new ATOM 0 HG21 THR A 87 -16.665 -10.376 -1.973 1.00 0.57 H new ATOM 0 HG22 THR A 87 -14.961 -10.184 -2.447 1.00 0.57 H new ATOM 0 HG23 THR A 87 -15.603 -9.285 -1.051 1.00 0.57 H new ATOM 1339 N LYS A 88 -14.303 -7.446 -5.389 1.00 0.33 N ATOM 1340 CA LYS A 88 -13.453 -7.789 -6.523 1.00 0.35 C ATOM 1341 C LYS A 88 -11.996 -7.419 -6.234 1.00 0.30 C ATOM 1342 O LYS A 88 -11.074 -8.163 -6.575 1.00 0.36 O ATOM 1343 CB LYS A 88 -13.954 -7.083 -7.790 1.00 0.42 C ATOM 1344 CG LYS A 88 -13.209 -7.477 -9.057 1.00 0.49 C ATOM 1345 CD LYS A 88 -13.491 -8.915 -9.462 1.00 0.71 C ATOM 1346 CE LYS A 88 -12.800 -9.268 -10.771 1.00 0.89 C ATOM 1347 NZ LYS A 88 -13.445 -8.608 -11.940 1.00 0.82 N ATOM 0 H LYS A 88 -15.051 -6.788 -5.610 1.00 0.33 H new ATOM 0 HA LYS A 88 -13.502 -8.866 -6.685 1.00 0.35 H new ATOM 0 HB2 LYS A 88 -15.013 -7.303 -7.921 1.00 0.42 H new ATOM 0 HB3 LYS A 88 -13.867 -6.005 -7.651 1.00 0.42 H new ATOM 0 HG2 LYS A 88 -13.497 -6.809 -9.869 1.00 0.49 H new ATOM 0 HG3 LYS A 88 -12.138 -7.348 -8.902 1.00 0.49 H new ATOM 0 HD2 LYS A 88 -13.151 -9.589 -8.676 1.00 0.71 H new ATOM 0 HD3 LYS A 88 -14.566 -9.062 -9.565 1.00 0.71 H new ATOM 0 HE2 LYS A 88 -11.753 -8.970 -10.719 1.00 0.89 H new ATOM 0 HE3 LYS A 88 -12.818 -10.349 -10.910 1.00 0.89 H new ATOM 0 HZ1 LYS A 88 -13.009 -8.954 -12.818 1.00 0.82 H new ATOM 0 HZ2 LYS A 88 -14.461 -8.830 -11.947 1.00 0.82 H new ATOM 0 HZ3 LYS A 88 -13.316 -7.578 -11.872 1.00 0.82 H new ATOM 1361 N SER A 89 -11.799 -6.283 -5.576 1.00 0.27 N ATOM 1362 CA SER A 89 -10.455 -5.822 -5.245 1.00 0.27 C ATOM 1363 C SER A 89 -9.862 -6.623 -4.081 1.00 0.25 C ATOM 1364 O SER A 89 -8.642 -6.752 -3.962 1.00 0.32 O ATOM 1365 CB SER A 89 -10.470 -4.324 -4.918 1.00 0.33 C ATOM 1366 OG SER A 89 -11.199 -4.050 -3.730 1.00 0.64 O ATOM 0 H SER A 89 -12.548 -5.666 -5.262 1.00 0.27 H new ATOM 0 HA SER A 89 -9.820 -5.983 -6.116 1.00 0.27 H new ATOM 0 HB2 SER A 89 -9.446 -3.966 -4.807 1.00 0.33 H new ATOM 0 HB3 SER A 89 -10.911 -3.775 -5.750 1.00 0.33 H new ATOM 0 HG SER A 89 -12.128 -4.340 -3.842 1.00 0.64 H new ATOM 1372 N PHE A 90 -10.729 -7.173 -3.238 1.00 0.24 N ATOM 1373 CA PHE A 90 -10.296 -7.954 -2.084 1.00 0.25 C ATOM 1374 C PHE A 90 -9.802 -9.333 -2.519 1.00 0.27 C ATOM 1375 O PHE A 90 -8.865 -9.884 -1.940 1.00 0.28 O ATOM 1376 CB PHE A 90 -11.444 -8.086 -1.081 1.00 0.29 C ATOM 1377 CG PHE A 90 -11.146 -9.009 0.068 1.00 0.29 C ATOM 1378 CD1 PHE A 90 -10.063 -8.777 0.903 1.00 0.26 C ATOM 1379 CD2 PHE A 90 -11.951 -10.109 0.315 1.00 0.38 C ATOM 1380 CE1 PHE A 90 -9.791 -9.624 1.958 1.00 0.31 C ATOM 1381 CE2 PHE A 90 -11.682 -10.958 1.369 1.00 0.42 C ATOM 1382 CZ PHE A 90 -10.603 -10.717 2.191 1.00 0.39 C ATOM 0 H PHE A 90 -11.741 -7.092 -3.333 1.00 0.24 H new ATOM 0 HA PHE A 90 -9.467 -7.435 -1.603 1.00 0.25 H new ATOM 0 HB2 PHE A 90 -11.685 -7.098 -0.688 1.00 0.29 H new ATOM 0 HB3 PHE A 90 -12.330 -8.446 -1.603 1.00 0.29 H new ATOM 0 HD1 PHE A 90 -9.425 -7.924 0.725 1.00 0.26 H new ATOM 0 HD2 PHE A 90 -12.799 -10.304 -0.325 1.00 0.38 H new ATOM 0 HE1 PHE A 90 -8.944 -9.433 2.601 1.00 0.31 H new ATOM 0 HE2 PHE A 90 -12.318 -11.812 1.550 1.00 0.42 H new ATOM 0 HZ PHE A 90 -10.392 -11.381 3.016 1.00 0.39 H new ATOM 1392 N GLU A 91 -10.422 -9.887 -3.545 1.00 0.32 N ATOM 1393 CA GLU A 91 -10.030 -11.198 -4.041 1.00 0.40 C ATOM 1394 C GLU A 91 -8.723 -11.104 -4.817 1.00 0.39 C ATOM 1395 O GLU A 91 -7.974 -12.076 -4.918 1.00 0.49 O ATOM 1396 CB GLU A 91 -11.129 -11.786 -4.923 1.00 0.51 C ATOM 1397 CG GLU A 91 -12.429 -12.020 -4.178 1.00 0.59 C ATOM 1398 CD GLU A 91 -12.346 -13.173 -3.193 1.00 0.75 C ATOM 1399 OE1 GLU A 91 -13.383 -13.828 -2.961 1.00 1.44 O ATOM 1400 OE2 GLU A 91 -11.248 -13.437 -2.652 1.00 1.09 O ATOM 0 H GLU A 91 -11.195 -9.454 -4.050 1.00 0.32 H new ATOM 0 HA GLU A 91 -9.880 -11.859 -3.187 1.00 0.40 H new ATOM 0 HB2 GLU A 91 -11.313 -11.113 -5.760 1.00 0.51 H new ATOM 0 HB3 GLU A 91 -10.783 -12.730 -5.343 1.00 0.51 H new ATOM 0 HG2 GLU A 91 -12.704 -11.111 -3.643 1.00 0.59 H new ATOM 0 HG3 GLU A 91 -13.223 -12.220 -4.897 1.00 0.59 H new ATOM 1407 N ASP A 92 -8.444 -9.917 -5.339 1.00 0.35 N ATOM 1408 CA ASP A 92 -7.230 -9.677 -6.114 1.00 0.37 C ATOM 1409 C ASP A 92 -5.994 -9.673 -5.219 1.00 0.31 C ATOM 1410 O ASP A 92 -4.862 -9.759 -5.704 1.00 0.31 O ATOM 1411 CB ASP A 92 -7.341 -8.349 -6.861 1.00 0.43 C ATOM 1412 CG ASP A 92 -6.607 -8.368 -8.185 1.00 0.53 C ATOM 1413 OD1 ASP A 92 -6.761 -9.352 -8.940 1.00 1.02 O ATOM 1414 OD2 ASP A 92 -5.900 -7.392 -8.492 1.00 0.99 O ATOM 0 H ASP A 92 -9.045 -9.099 -5.240 1.00 0.35 H new ATOM 0 HA ASP A 92 -7.122 -10.488 -6.834 1.00 0.37 H new ATOM 0 HB2 ASP A 92 -8.392 -8.120 -7.035 1.00 0.43 H new ATOM 0 HB3 ASP A 92 -6.940 -7.550 -6.238 1.00 0.43 H new ATOM 1419 N ILE A 93 -6.221 -9.580 -3.909 1.00 0.28 N ATOM 1420 CA ILE A 93 -5.135 -9.580 -2.931 1.00 0.25 C ATOM 1421 C ILE A 93 -4.301 -10.856 -3.060 1.00 0.24 C ATOM 1422 O ILE A 93 -3.079 -10.832 -2.903 1.00 0.25 O ATOM 1423 CB ILE A 93 -5.675 -9.461 -1.480 1.00 0.29 C ATOM 1424 CG1 ILE A 93 -6.406 -8.126 -1.280 1.00 0.32 C ATOM 1425 CG2 ILE A 93 -4.550 -9.601 -0.461 1.00 0.35 C ATOM 1426 CD1 ILE A 93 -5.493 -6.919 -1.310 1.00 0.42 C ATOM 0 H ILE A 93 -7.152 -9.503 -3.500 1.00 0.28 H new ATOM 0 HA ILE A 93 -4.509 -8.712 -3.138 1.00 0.25 H new ATOM 0 HB ILE A 93 -6.383 -10.275 -1.323 1.00 0.29 H new ATOM 0 HG12 ILE A 93 -7.163 -8.017 -2.057 1.00 0.32 H new ATOM 0 HG13 ILE A 93 -6.931 -8.149 -0.325 1.00 0.32 H new ATOM 0 HG21 ILE A 93 -4.958 -9.513 0.546 1.00 0.35 H new ATOM 0 HG22 ILE A 93 -4.074 -10.575 -0.576 1.00 0.35 H new ATOM 0 HG23 ILE A 93 -3.812 -8.815 -0.623 1.00 0.35 H new ATOM 0 HD11 ILE A 93 -6.082 -6.014 -1.162 1.00 0.42 H new ATOM 0 HD12 ILE A 93 -4.752 -7.004 -0.515 1.00 0.42 H new ATOM 0 HD13 ILE A 93 -4.987 -6.869 -2.274 1.00 0.42 H new ATOM 1438 N HIS A 94 -4.972 -11.966 -3.372 1.00 0.26 N ATOM 1439 CA HIS A 94 -4.296 -13.254 -3.530 1.00 0.30 C ATOM 1440 C HIS A 94 -3.277 -13.189 -4.664 1.00 0.30 C ATOM 1441 O HIS A 94 -2.143 -13.644 -4.523 1.00 0.38 O ATOM 1442 CB HIS A 94 -5.303 -14.376 -3.822 1.00 0.35 C ATOM 1443 CG HIS A 94 -6.171 -14.763 -2.658 1.00 0.46 C ATOM 1444 ND1 HIS A 94 -5.740 -15.562 -1.621 1.00 0.73 N ATOM 1445 CD2 HIS A 94 -7.470 -14.484 -2.397 1.00 0.70 C ATOM 1446 CE1 HIS A 94 -6.735 -15.756 -0.775 1.00 0.83 C ATOM 1447 NE2 HIS A 94 -7.796 -15.111 -1.224 1.00 0.79 N ATOM 0 H HIS A 94 -5.981 -11.999 -3.520 1.00 0.26 H new ATOM 0 HA HIS A 94 -3.785 -13.472 -2.592 1.00 0.30 H new ATOM 0 HB2 HIS A 94 -5.944 -14.064 -4.647 1.00 0.35 H new ATOM 0 HB3 HIS A 94 -4.756 -15.257 -4.158 1.00 0.35 H new ATOM 0 HD2 HIS A 94 -8.128 -13.878 -3.003 1.00 0.70 H new ATOM 0 HE1 HIS A 94 -6.689 -16.343 0.131 1.00 0.83 H new ATOM 0 HE2 HIS A 94 -8.710 -15.084 -0.771 1.00 0.79 H new ATOM 1456 N HIS A 95 -3.689 -12.602 -5.781 1.00 0.27 N ATOM 1457 CA HIS A 95 -2.830 -12.478 -6.951 1.00 0.30 C ATOM 1458 C HIS A 95 -1.609 -11.604 -6.667 1.00 0.26 C ATOM 1459 O HIS A 95 -0.484 -11.988 -6.981 1.00 0.26 O ATOM 1460 CB HIS A 95 -3.627 -11.898 -8.127 1.00 0.37 C ATOM 1461 CG HIS A 95 -2.831 -11.733 -9.389 1.00 0.50 C ATOM 1462 ND1 HIS A 95 -2.594 -12.763 -10.273 1.00 0.72 N ATOM 1463 CD2 HIS A 95 -2.225 -10.644 -9.915 1.00 0.65 C ATOM 1464 CE1 HIS A 95 -1.878 -12.317 -11.285 1.00 0.79 C ATOM 1465 NE2 HIS A 95 -1.641 -11.035 -11.091 1.00 0.72 N ATOM 0 H HIS A 95 -4.620 -12.202 -5.901 1.00 0.27 H new ATOM 0 HA HIS A 95 -2.472 -13.475 -7.208 1.00 0.30 H new ATOM 0 HB2 HIS A 95 -4.478 -12.548 -8.330 1.00 0.37 H new ATOM 0 HB3 HIS A 95 -4.029 -10.928 -7.835 1.00 0.37 H new ATOM 0 HD2 HIS A 95 -2.205 -9.652 -9.488 1.00 0.65 H new ATOM 0 HE1 HIS A 95 -1.543 -12.902 -12.129 1.00 0.79 H new ATOM 0 HE2 HIS A 95 -1.108 -10.431 -11.716 1.00 0.72 H new ATOM 1474 N TYR A 96 -1.836 -10.439 -6.071 1.00 0.29 N ATOM 1475 CA TYR A 96 -0.748 -9.509 -5.772 1.00 0.29 C ATOM 1476 C TYR A 96 0.289 -10.119 -4.835 1.00 0.24 C ATOM 1477 O TYR A 96 1.481 -10.111 -5.143 1.00 0.24 O ATOM 1478 CB TYR A 96 -1.293 -8.211 -5.181 1.00 0.38 C ATOM 1479 CG TYR A 96 -1.813 -7.254 -6.229 1.00 0.47 C ATOM 1480 CD1 TYR A 96 -0.971 -6.749 -7.212 1.00 1.04 C ATOM 1481 CD2 TYR A 96 -3.143 -6.864 -6.245 1.00 0.76 C ATOM 1482 CE1 TYR A 96 -1.443 -5.885 -8.179 1.00 1.17 C ATOM 1483 CE2 TYR A 96 -3.619 -5.997 -7.208 1.00 0.81 C ATOM 1484 CZ TYR A 96 -2.767 -5.514 -8.172 1.00 0.75 C ATOM 1485 OH TYR A 96 -3.245 -4.658 -9.139 1.00 0.91 O ATOM 0 H TYR A 96 -2.760 -10.115 -5.785 1.00 0.29 H new ATOM 0 HA TYR A 96 -0.249 -9.289 -6.716 1.00 0.29 H new ATOM 0 HB2 TYR A 96 -2.096 -8.446 -4.482 1.00 0.38 H new ATOM 0 HB3 TYR A 96 -0.505 -7.721 -4.609 1.00 0.38 H new ATOM 0 HD1 TYR A 96 0.070 -7.037 -7.219 1.00 1.04 H new ATOM 0 HD2 TYR A 96 -3.818 -7.244 -5.492 1.00 0.76 H new ATOM 0 HE1 TYR A 96 -0.776 -5.502 -8.937 1.00 1.17 H new ATOM 0 HE2 TYR A 96 -4.657 -5.699 -7.204 1.00 0.81 H new ATOM 0 HH TYR A 96 -3.457 -3.792 -8.733 1.00 0.91 H new ATOM 1495 N ARG A 97 -0.168 -10.656 -3.709 1.00 0.25 N ATOM 1496 CA ARG A 97 0.729 -11.267 -2.730 1.00 0.25 C ATOM 1497 C ARG A 97 1.579 -12.353 -3.380 1.00 0.22 C ATOM 1498 O ARG A 97 2.798 -12.379 -3.212 1.00 0.29 O ATOM 1499 CB ARG A 97 -0.078 -11.856 -1.566 1.00 0.32 C ATOM 1500 CG ARG A 97 0.762 -12.585 -0.517 1.00 0.36 C ATOM 1501 CD ARG A 97 1.686 -11.644 0.250 1.00 0.39 C ATOM 1502 NE ARG A 97 2.232 -12.275 1.462 1.00 0.45 N ATOM 1503 CZ ARG A 97 3.122 -11.708 2.283 1.00 0.48 C ATOM 1504 NH1 ARG A 97 3.591 -10.488 2.032 1.00 0.48 N ATOM 1505 NH2 ARG A 97 3.535 -12.360 3.365 1.00 0.60 N ATOM 0 H ARG A 97 -1.154 -10.681 -3.450 1.00 0.25 H new ATOM 0 HA ARG A 97 1.393 -10.493 -2.345 1.00 0.25 H new ATOM 0 HB2 ARG A 97 -0.628 -11.051 -1.078 1.00 0.32 H new ATOM 0 HB3 ARG A 97 -0.817 -12.549 -1.967 1.00 0.32 H new ATOM 0 HG2 ARG A 97 0.100 -13.091 0.186 1.00 0.36 H new ATOM 0 HG3 ARG A 97 1.358 -13.356 -1.005 1.00 0.36 H new ATOM 0 HD2 ARG A 97 2.506 -11.333 -0.398 1.00 0.39 H new ATOM 0 HD3 ARG A 97 1.138 -10.743 0.526 1.00 0.39 H new ATOM 0 HE ARG A 97 1.908 -13.214 1.693 1.00 0.45 H new ATOM 0 HH11 ARG A 97 3.272 -9.978 1.208 1.00 0.48 H new ATOM 0 HH12 ARG A 97 4.270 -10.063 2.663 1.00 0.48 H new ATOM 0 HH21 ARG A 97 3.173 -13.292 3.568 1.00 0.60 H new ATOM 0 HH22 ARG A 97 4.214 -11.929 3.992 1.00 0.60 H new ATOM 1519 N GLU A 98 0.930 -13.222 -4.142 1.00 0.22 N ATOM 1520 CA GLU A 98 1.612 -14.322 -4.814 1.00 0.24 C ATOM 1521 C GLU A 98 2.580 -13.819 -5.885 1.00 0.23 C ATOM 1522 O GLU A 98 3.711 -14.302 -5.984 1.00 0.26 O ATOM 1523 CB GLU A 98 0.589 -15.264 -5.450 1.00 0.30 C ATOM 1524 CG GLU A 98 1.208 -16.431 -6.199 1.00 0.46 C ATOM 1525 CD GLU A 98 0.189 -17.186 -7.019 1.00 0.94 C ATOM 1526 OE1 GLU A 98 -0.083 -16.775 -8.166 1.00 1.21 O ATOM 1527 OE2 GLU A 98 -0.356 -18.193 -6.518 1.00 1.35 O ATOM 0 H GLU A 98 -0.075 -13.187 -4.312 1.00 0.22 H new ATOM 0 HA GLU A 98 2.190 -14.858 -4.061 1.00 0.24 H new ATOM 0 HB2 GLU A 98 -0.066 -15.652 -4.670 1.00 0.30 H new ATOM 0 HB3 GLU A 98 -0.036 -14.694 -6.138 1.00 0.30 H new ATOM 0 HG2 GLU A 98 1.998 -16.063 -6.853 1.00 0.46 H new ATOM 0 HG3 GLU A 98 1.675 -17.111 -5.487 1.00 0.46 H new ATOM 1534 N GLN A 99 2.130 -12.848 -6.671 1.00 0.23 N ATOM 1535 CA GLN A 99 2.934 -12.282 -7.752 1.00 0.25 C ATOM 1536 C GLN A 99 4.190 -11.589 -7.233 1.00 0.24 C ATOM 1537 O GLN A 99 5.298 -11.917 -7.652 1.00 0.26 O ATOM 1538 CB GLN A 99 2.099 -11.295 -8.577 1.00 0.30 C ATOM 1539 CG GLN A 99 2.889 -10.566 -9.653 1.00 0.33 C ATOM 1540 CD GLN A 99 2.003 -9.778 -10.595 1.00 0.63 C ATOM 1541 OE1 GLN A 99 0.909 -9.350 -10.226 1.00 1.15 O ATOM 1542 NE2 GLN A 99 2.471 -9.575 -11.814 1.00 1.08 N ATOM 0 H GLN A 99 1.203 -12.432 -6.580 1.00 0.23 H new ATOM 0 HA GLN A 99 3.251 -13.111 -8.385 1.00 0.25 H new ATOM 0 HB2 GLN A 99 1.277 -11.835 -9.047 1.00 0.30 H new ATOM 0 HB3 GLN A 99 1.655 -10.560 -7.905 1.00 0.30 H new ATOM 0 HG2 GLN A 99 3.601 -9.890 -9.180 1.00 0.33 H new ATOM 0 HG3 GLN A 99 3.469 -11.290 -10.226 1.00 0.33 H new ATOM 0 HE21 GLN A 99 3.383 -9.947 -12.079 1.00 1.08 H new ATOM 0 HE22 GLN A 99 1.920 -9.046 -12.490 1.00 1.08 H new ATOM 1551 N ILE A 100 4.020 -10.650 -6.315 1.00 0.24 N ATOM 1552 CA ILE A 100 5.149 -9.909 -5.770 1.00 0.26 C ATOM 1553 C ILE A 100 6.130 -10.848 -5.062 1.00 0.24 C ATOM 1554 O ILE A 100 7.347 -10.644 -5.116 1.00 0.24 O ATOM 1555 CB ILE A 100 4.670 -8.789 -4.822 1.00 0.32 C ATOM 1556 CG1 ILE A 100 3.756 -7.826 -5.594 1.00 0.39 C ATOM 1557 CG2 ILE A 100 5.851 -8.041 -4.218 1.00 0.34 C ATOM 1558 CD1 ILE A 100 3.119 -6.760 -4.732 1.00 0.51 C ATOM 0 H ILE A 100 3.113 -10.383 -5.932 1.00 0.24 H new ATOM 0 HA ILE A 100 5.676 -9.440 -6.601 1.00 0.26 H new ATOM 0 HB ILE A 100 4.110 -9.237 -4.001 1.00 0.32 H new ATOM 0 HG12 ILE A 100 4.335 -7.344 -6.381 1.00 0.39 H new ATOM 0 HG13 ILE A 100 2.970 -8.401 -6.083 1.00 0.39 H new ATOM 0 HG21 ILE A 100 5.485 -7.258 -3.554 1.00 0.34 H new ATOM 0 HG22 ILE A 100 6.471 -8.736 -3.651 1.00 0.34 H new ATOM 0 HG23 ILE A 100 6.444 -7.593 -5.015 1.00 0.34 H new ATOM 0 HD11 ILE A 100 2.489 -6.121 -5.350 1.00 0.51 H new ATOM 0 HD12 ILE A 100 2.511 -7.232 -3.960 1.00 0.51 H new ATOM 0 HD13 ILE A 100 3.897 -6.158 -4.263 1.00 0.51 H new ATOM 1570 N LYS A 101 5.601 -11.894 -4.429 1.00 0.25 N ATOM 1571 CA LYS A 101 6.441 -12.877 -3.750 1.00 0.27 C ATOM 1572 C LYS A 101 7.357 -13.570 -4.753 1.00 0.23 C ATOM 1573 O LYS A 101 8.507 -13.888 -4.449 1.00 0.27 O ATOM 1574 CB LYS A 101 5.584 -13.924 -3.036 1.00 0.34 C ATOM 1575 CG LYS A 101 5.230 -13.559 -1.602 1.00 0.78 C ATOM 1576 CD LYS A 101 4.247 -14.557 -1.007 1.00 0.76 C ATOM 1577 CE LYS A 101 4.903 -15.903 -0.742 1.00 0.97 C ATOM 1578 NZ LYS A 101 3.903 -16.990 -0.570 1.00 1.05 N ATOM 0 H LYS A 101 4.600 -12.081 -4.373 1.00 0.25 H new ATOM 0 HA LYS A 101 7.044 -12.351 -3.010 1.00 0.27 H new ATOM 0 HB2 LYS A 101 4.663 -14.072 -3.601 1.00 0.34 H new ATOM 0 HB3 LYS A 101 6.115 -14.876 -3.038 1.00 0.34 H new ATOM 0 HG2 LYS A 101 6.136 -13.532 -0.997 1.00 0.78 H new ATOM 0 HG3 LYS A 101 4.798 -12.559 -1.575 1.00 0.78 H new ATOM 0 HD2 LYS A 101 3.843 -14.159 -0.076 1.00 0.76 H new ATOM 0 HD3 LYS A 101 3.406 -14.690 -1.688 1.00 0.76 H new ATOM 0 HE2 LYS A 101 5.568 -16.151 -1.570 1.00 0.97 H new ATOM 0 HE3 LYS A 101 5.521 -15.834 0.154 1.00 0.97 H new ATOM 0 HZ1 LYS A 101 4.395 -17.889 -0.392 1.00 1.05 H new ATOM 0 HZ2 LYS A 101 3.284 -16.768 0.236 1.00 1.05 H new ATOM 0 HZ3 LYS A 101 3.330 -17.074 -1.434 1.00 1.05 H new ATOM 1592 N ARG A 102 6.835 -13.780 -5.960 1.00 0.22 N ATOM 1593 CA ARG A 102 7.589 -14.428 -7.028 1.00 0.23 C ATOM 1594 C ARG A 102 8.644 -13.487 -7.597 1.00 0.21 C ATOM 1595 O ARG A 102 9.769 -13.902 -7.870 1.00 0.26 O ATOM 1596 CB ARG A 102 6.658 -14.875 -8.161 1.00 0.29 C ATOM 1597 CG ARG A 102 5.730 -16.025 -7.802 1.00 0.35 C ATOM 1598 CD ARG A 102 4.778 -16.325 -8.948 1.00 0.44 C ATOM 1599 NE ARG A 102 3.961 -17.505 -8.700 1.00 0.58 N ATOM 1600 CZ ARG A 102 3.116 -18.020 -9.588 1.00 0.75 C ATOM 1601 NH1 ARG A 102 2.980 -17.456 -10.782 1.00 0.89 N ATOM 1602 NH2 ARG A 102 2.413 -19.104 -9.283 1.00 0.91 N ATOM 0 H ARG A 102 5.887 -13.509 -6.222 1.00 0.22 H new ATOM 0 HA ARG A 102 8.079 -15.301 -6.597 1.00 0.23 H new ATOM 0 HB2 ARG A 102 6.055 -14.023 -8.475 1.00 0.29 H new ATOM 0 HB3 ARG A 102 7.265 -15.169 -9.017 1.00 0.29 H new ATOM 0 HG2 ARG A 102 6.317 -16.913 -7.568 1.00 0.35 H new ATOM 0 HG3 ARG A 102 5.161 -15.774 -6.907 1.00 0.35 H new ATOM 0 HD2 ARG A 102 4.128 -15.465 -9.111 1.00 0.44 H new ATOM 0 HD3 ARG A 102 5.351 -16.470 -9.864 1.00 0.44 H new ATOM 0 HE ARG A 102 4.042 -17.963 -7.792 1.00 0.58 H new ATOM 0 HH11 ARG A 102 3.524 -16.627 -11.019 1.00 0.89 H new ATOM 0 HH12 ARG A 102 2.331 -17.852 -11.462 1.00 0.89 H new ATOM 0 HH21 ARG A 102 2.521 -19.541 -8.368 1.00 0.91 H new ATOM 0 HH22 ARG A 102 1.765 -19.500 -9.964 1.00 0.91 H new ATOM 1616 N VAL A 103 8.269 -12.222 -7.766 1.00 0.21 N ATOM 1617 CA VAL A 103 9.169 -11.210 -8.312 1.00 0.23 C ATOM 1618 C VAL A 103 10.406 -11.033 -7.434 1.00 0.19 C ATOM 1619 O VAL A 103 11.522 -10.919 -7.938 1.00 0.21 O ATOM 1620 CB VAL A 103 8.461 -9.845 -8.459 1.00 0.27 C ATOM 1621 CG1 VAL A 103 9.381 -8.823 -9.101 1.00 0.35 C ATOM 1622 CG2 VAL A 103 7.184 -9.982 -9.268 1.00 0.35 C ATOM 0 H VAL A 103 7.341 -11.871 -7.531 1.00 0.21 H new ATOM 0 HA VAL A 103 9.474 -11.564 -9.297 1.00 0.23 H new ATOM 0 HB VAL A 103 8.202 -9.496 -7.459 1.00 0.27 H new ATOM 0 HG11 VAL A 103 8.859 -7.871 -9.193 1.00 0.35 H new ATOM 0 HG12 VAL A 103 10.268 -8.692 -8.481 1.00 0.35 H new ATOM 0 HG13 VAL A 103 9.678 -9.171 -10.090 1.00 0.35 H new ATOM 0 HG21 VAL A 103 6.704 -9.008 -9.358 1.00 0.35 H new ATOM 0 HG22 VAL A 103 7.422 -10.362 -10.262 1.00 0.35 H new ATOM 0 HG23 VAL A 103 6.508 -10.675 -8.767 1.00 0.35 H new ATOM 1632 N LYS A 104 10.205 -11.022 -6.125 1.00 0.17 N ATOM 1633 CA LYS A 104 11.309 -10.850 -5.190 1.00 0.16 C ATOM 1634 C LYS A 104 11.928 -12.192 -4.808 1.00 0.18 C ATOM 1635 O LYS A 104 13.027 -12.239 -4.254 1.00 0.28 O ATOM 1636 CB LYS A 104 10.834 -10.121 -3.932 1.00 0.18 C ATOM 1637 CG LYS A 104 10.516 -8.652 -4.164 1.00 0.26 C ATOM 1638 CD LYS A 104 10.075 -7.964 -2.880 1.00 0.32 C ATOM 1639 CE LYS A 104 11.231 -7.775 -1.910 1.00 0.51 C ATOM 1640 NZ LYS A 104 12.090 -6.618 -2.280 1.00 0.63 N ATOM 0 H LYS A 104 9.291 -11.130 -5.686 1.00 0.17 H new ATOM 0 HA LYS A 104 12.072 -10.251 -5.686 1.00 0.16 H new ATOM 0 HB2 LYS A 104 9.945 -10.620 -3.547 1.00 0.18 H new ATOM 0 HB3 LYS A 104 11.603 -10.201 -3.164 1.00 0.18 H new ATOM 0 HG2 LYS A 104 11.396 -8.148 -4.564 1.00 0.26 H new ATOM 0 HG3 LYS A 104 9.729 -8.563 -4.913 1.00 0.26 H new ATOM 0 HD2 LYS A 104 9.640 -6.994 -3.119 1.00 0.32 H new ATOM 0 HD3 LYS A 104 9.293 -8.555 -2.402 1.00 0.32 H new ATOM 0 HE2 LYS A 104 10.839 -7.627 -0.904 1.00 0.51 H new ATOM 0 HE3 LYS A 104 11.836 -8.682 -1.886 1.00 0.51 H new ATOM 0 HZ1 LYS A 104 13.021 -6.718 -1.827 1.00 0.63 H new ATOM 0 HZ2 LYS A 104 12.209 -6.590 -3.313 1.00 0.63 H new ATOM 0 HZ3 LYS A 104 11.642 -5.736 -1.959 1.00 0.63 H new ATOM 1654 N ASP A 105 11.214 -13.274 -5.109 1.00 0.17 N ATOM 1655 CA ASP A 105 11.676 -14.627 -4.793 1.00 0.21 C ATOM 1656 C ASP A 105 11.901 -14.760 -3.285 1.00 0.23 C ATOM 1657 O ASP A 105 12.989 -15.111 -2.819 1.00 0.28 O ATOM 1658 CB ASP A 105 12.957 -14.963 -5.576 1.00 0.24 C ATOM 1659 CG ASP A 105 13.424 -16.392 -5.358 1.00 0.34 C ATOM 1660 OD1 ASP A 105 12.648 -17.328 -5.651 1.00 0.43 O ATOM 1661 OD2 ASP A 105 14.571 -16.586 -4.900 1.00 0.47 O ATOM 0 H ASP A 105 10.307 -13.241 -5.574 1.00 0.17 H new ATOM 0 HA ASP A 105 10.909 -15.341 -5.094 1.00 0.21 H new ATOM 0 HB2 ASP A 105 12.780 -14.802 -6.639 1.00 0.24 H new ATOM 0 HB3 ASP A 105 13.750 -14.277 -5.278 1.00 0.24 H new ATOM 1666 N SER A 106 10.864 -14.445 -2.521 1.00 0.28 N ATOM 1667 CA SER A 106 10.928 -14.503 -1.068 1.00 0.33 C ATOM 1668 C SER A 106 9.542 -14.707 -0.471 1.00 0.36 C ATOM 1669 O SER A 106 8.561 -14.133 -0.947 1.00 0.56 O ATOM 1670 CB SER A 106 11.545 -13.214 -0.514 1.00 0.36 C ATOM 1671 OG SER A 106 12.877 -13.057 -0.969 1.00 1.14 O ATOM 0 H SER A 106 9.961 -14.144 -2.888 1.00 0.28 H new ATOM 0 HA SER A 106 11.554 -15.351 -0.790 1.00 0.33 H new ATOM 0 HB2 SER A 106 10.947 -12.357 -0.824 1.00 0.36 H new ATOM 0 HB3 SER A 106 11.529 -13.237 0.576 1.00 0.36 H new ATOM 0 HG SER A 106 13.251 -12.228 -0.605 1.00 1.14 H new ATOM 1677 N GLU A 107 9.469 -15.532 0.565 1.00 0.42 N ATOM 1678 CA GLU A 107 8.209 -15.807 1.237 1.00 0.54 C ATOM 1679 C GLU A 107 7.972 -14.784 2.337 1.00 0.42 C ATOM 1680 O GLU A 107 6.837 -14.538 2.747 1.00 0.54 O ATOM 1681 CB GLU A 107 8.216 -17.216 1.828 1.00 0.74 C ATOM 1682 CG GLU A 107 8.080 -18.313 0.783 1.00 1.11 C ATOM 1683 CD GLU A 107 8.682 -19.626 1.236 1.00 1.17 C ATOM 1684 OE1 GLU A 107 9.427 -20.248 0.448 1.00 1.74 O ATOM 1685 OE2 GLU A 107 8.424 -20.041 2.386 1.00 1.46 O ATOM 0 H GLU A 107 10.272 -16.023 0.958 1.00 0.42 H new ATOM 0 HA GLU A 107 7.403 -15.739 0.507 1.00 0.54 H new ATOM 0 HB2 GLU A 107 9.143 -17.365 2.381 1.00 0.74 H new ATOM 0 HB3 GLU A 107 7.400 -17.305 2.545 1.00 0.74 H new ATOM 0 HG2 GLU A 107 7.025 -18.461 0.553 1.00 1.11 H new ATOM 0 HG3 GLU A 107 8.566 -17.994 -0.139 1.00 1.11 H new ATOM 1692 N ASP A 108 9.057 -14.191 2.806 1.00 0.35 N ATOM 1693 CA ASP A 108 8.983 -13.186 3.854 1.00 0.37 C ATOM 1694 C ASP A 108 9.101 -11.792 3.247 1.00 0.29 C ATOM 1695 O ASP A 108 10.191 -11.229 3.145 1.00 0.39 O ATOM 1696 CB ASP A 108 10.084 -13.417 4.896 1.00 0.54 C ATOM 1697 CG ASP A 108 10.080 -12.380 6.004 1.00 0.65 C ATOM 1698 OD1 ASP A 108 9.091 -12.311 6.767 1.00 0.77 O ATOM 1699 OD2 ASP A 108 11.074 -11.636 6.129 1.00 0.78 O ATOM 0 H ASP A 108 10.002 -14.389 2.477 1.00 0.35 H new ATOM 0 HA ASP A 108 8.018 -13.268 4.355 1.00 0.37 H new ATOM 0 HB2 ASP A 108 9.961 -14.408 5.333 1.00 0.54 H new ATOM 0 HB3 ASP A 108 11.054 -13.406 4.400 1.00 0.54 H new ATOM 1704 N VAL A 109 7.973 -11.264 2.804 1.00 0.25 N ATOM 1705 CA VAL A 109 7.926 -9.937 2.202 1.00 0.21 C ATOM 1706 C VAL A 109 7.043 -9.014 3.036 1.00 0.18 C ATOM 1707 O VAL A 109 5.852 -9.290 3.221 1.00 0.25 O ATOM 1708 CB VAL A 109 7.394 -9.987 0.748 1.00 0.27 C ATOM 1709 CG1 VAL A 109 7.295 -8.587 0.157 1.00 0.31 C ATOM 1710 CG2 VAL A 109 8.281 -10.870 -0.118 1.00 0.47 C ATOM 0 H VAL A 109 7.070 -11.736 2.849 1.00 0.25 H new ATOM 0 HA VAL A 109 8.945 -9.551 2.178 1.00 0.21 H new ATOM 0 HB VAL A 109 6.393 -10.419 0.769 1.00 0.27 H new ATOM 0 HG11 VAL A 109 6.919 -8.649 -0.864 1.00 0.31 H new ATOM 0 HG12 VAL A 109 6.614 -7.985 0.759 1.00 0.31 H new ATOM 0 HG13 VAL A 109 8.281 -8.123 0.153 1.00 0.31 H new ATOM 0 HG21 VAL A 109 7.890 -10.892 -1.135 1.00 0.47 H new ATOM 0 HG22 VAL A 109 9.295 -10.470 -0.127 1.00 0.47 H new ATOM 0 HG23 VAL A 109 8.294 -11.882 0.287 1.00 0.47 H new ATOM 1720 N PRO A 110 7.624 -7.919 3.562 1.00 0.15 N ATOM 1721 CA PRO A 110 6.900 -6.946 4.390 1.00 0.15 C ATOM 1722 C PRO A 110 5.707 -6.343 3.662 1.00 0.14 C ATOM 1723 O PRO A 110 5.857 -5.657 2.646 1.00 0.17 O ATOM 1724 CB PRO A 110 7.943 -5.864 4.686 1.00 0.18 C ATOM 1725 CG PRO A 110 9.261 -6.508 4.450 1.00 0.25 C ATOM 1726 CD PRO A 110 9.037 -7.542 3.386 1.00 0.23 C ATOM 0 HA PRO A 110 6.488 -7.410 5.286 1.00 0.15 H new ATOM 0 HB2 PRO A 110 7.807 -4.999 4.036 1.00 0.18 H new ATOM 0 HB3 PRO A 110 7.858 -5.508 5.713 1.00 0.18 H new ATOM 0 HG2 PRO A 110 10.001 -5.774 4.130 1.00 0.25 H new ATOM 0 HG3 PRO A 110 9.640 -6.966 5.364 1.00 0.25 H new ATOM 0 HD2 PRO A 110 9.224 -7.140 2.390 1.00 0.23 H new ATOM 0 HD3 PRO A 110 9.699 -8.398 3.513 1.00 0.23 H new ATOM 1734 N MET A 111 4.520 -6.611 4.182 1.00 0.13 N ATOM 1735 CA MET A 111 3.293 -6.107 3.596 1.00 0.14 C ATOM 1736 C MET A 111 2.271 -5.811 4.678 1.00 0.15 C ATOM 1737 O MET A 111 2.310 -6.405 5.753 1.00 0.17 O ATOM 1738 CB MET A 111 2.702 -7.123 2.619 1.00 0.17 C ATOM 1739 CG MET A 111 3.245 -7.011 1.209 1.00 0.24 C ATOM 1740 SD MET A 111 2.656 -8.337 0.139 1.00 0.34 S ATOM 1741 CE MET A 111 3.444 -7.895 -1.401 1.00 0.79 C ATOM 0 H MET A 111 4.382 -7.181 5.017 1.00 0.13 H new ATOM 0 HA MET A 111 3.533 -5.189 3.059 1.00 0.14 H new ATOM 0 HB2 MET A 111 2.897 -8.128 2.994 1.00 0.17 H new ATOM 0 HB3 MET A 111 1.620 -6.998 2.591 1.00 0.17 H new ATOM 0 HG2 MET A 111 2.954 -6.050 0.786 1.00 0.24 H new ATOM 0 HG3 MET A 111 4.334 -7.029 1.239 1.00 0.24 H new ATOM 0 HE1 MET A 111 3.094 -8.558 -2.192 1.00 0.79 H new ATOM 0 HE2 MET A 111 3.195 -6.865 -1.655 1.00 0.79 H new ATOM 0 HE3 MET A 111 4.525 -7.992 -1.298 1.00 0.79 H new ATOM 1751 N VAL A 112 1.378 -4.882 4.398 1.00 0.16 N ATOM 1752 CA VAL A 112 0.322 -4.524 5.332 1.00 0.16 C ATOM 1753 C VAL A 112 -0.998 -4.472 4.585 1.00 0.17 C ATOM 1754 O VAL A 112 -1.105 -3.796 3.560 1.00 0.17 O ATOM 1755 CB VAL A 112 0.581 -3.164 6.019 1.00 0.17 C ATOM 1756 CG1 VAL A 112 -0.540 -2.828 6.988 1.00 0.22 C ATOM 1757 CG2 VAL A 112 1.918 -3.164 6.742 1.00 0.21 C ATOM 0 H VAL A 112 1.361 -4.356 3.524 1.00 0.16 H new ATOM 0 HA VAL A 112 0.295 -5.282 6.115 1.00 0.16 H new ATOM 0 HB VAL A 112 0.611 -2.399 5.243 1.00 0.17 H new ATOM 0 HG11 VAL A 112 -0.337 -1.867 7.460 1.00 0.22 H new ATOM 0 HG12 VAL A 112 -1.485 -2.774 6.447 1.00 0.22 H new ATOM 0 HG13 VAL A 112 -0.604 -3.602 7.753 1.00 0.22 H new ATOM 0 HG21 VAL A 112 2.075 -2.195 7.216 1.00 0.21 H new ATOM 0 HG22 VAL A 112 1.921 -3.945 7.502 1.00 0.21 H new ATOM 0 HG23 VAL A 112 2.719 -3.352 6.026 1.00 0.21 H new ATOM 1767 N LEU A 113 -1.986 -5.208 5.069 1.00 0.18 N ATOM 1768 CA LEU A 113 -3.285 -5.233 4.421 1.00 0.19 C ATOM 1769 C LEU A 113 -4.101 -4.032 4.871 1.00 0.20 C ATOM 1770 O LEU A 113 -4.278 -3.800 6.069 1.00 0.23 O ATOM 1771 CB LEU A 113 -4.017 -6.543 4.721 1.00 0.23 C ATOM 1772 CG LEU A 113 -5.224 -6.844 3.821 1.00 0.23 C ATOM 1773 CD1 LEU A 113 -4.813 -6.890 2.355 1.00 0.26 C ATOM 1774 CD2 LEU A 113 -5.877 -8.155 4.234 1.00 0.29 C ATOM 0 H LEU A 113 -1.913 -5.792 5.902 1.00 0.18 H new ATOM 0 HA LEU A 113 -3.146 -5.177 3.341 1.00 0.19 H new ATOM 0 HB2 LEU A 113 -3.306 -7.365 4.634 1.00 0.23 H new ATOM 0 HB3 LEU A 113 -4.354 -6.522 5.757 1.00 0.23 H new ATOM 0 HG LEU A 113 -5.949 -6.039 3.942 1.00 0.23 H new ATOM 0 HD11 LEU A 113 -5.686 -7.105 1.739 1.00 0.26 H new ATOM 0 HD12 LEU A 113 -4.392 -5.927 2.065 1.00 0.26 H new ATOM 0 HD13 LEU A 113 -4.066 -7.671 2.211 1.00 0.26 H new ATOM 0 HD21 LEU A 113 -6.731 -8.356 3.587 1.00 0.29 H new ATOM 0 HD22 LEU A 113 -5.154 -8.966 4.143 1.00 0.29 H new ATOM 0 HD23 LEU A 113 -6.214 -8.084 5.268 1.00 0.29 H new ATOM 1786 N VAL A 114 -4.586 -3.264 3.911 1.00 0.23 N ATOM 1787 CA VAL A 114 -5.340 -2.060 4.217 1.00 0.28 C ATOM 1788 C VAL A 114 -6.729 -2.077 3.595 1.00 0.24 C ATOM 1789 O VAL A 114 -6.879 -2.289 2.395 1.00 0.30 O ATOM 1790 CB VAL A 114 -4.588 -0.814 3.712 1.00 0.38 C ATOM 1791 CG1 VAL A 114 -5.113 0.440 4.375 1.00 0.82 C ATOM 1792 CG2 VAL A 114 -3.090 -0.954 3.939 1.00 0.59 C ATOM 0 H VAL A 114 -4.472 -3.452 2.915 1.00 0.23 H new ATOM 0 HA VAL A 114 -5.448 -2.025 5.301 1.00 0.28 H new ATOM 0 HB VAL A 114 -4.763 -0.730 2.639 1.00 0.38 H new ATOM 0 HG11 VAL A 114 -4.566 1.305 4.001 1.00 0.82 H new ATOM 0 HG12 VAL A 114 -6.173 0.555 4.148 1.00 0.82 H new ATOM 0 HG13 VAL A 114 -4.979 0.364 5.454 1.00 0.82 H new ATOM 0 HG21 VAL A 114 -2.582 -0.062 3.574 1.00 0.59 H new ATOM 0 HG22 VAL A 114 -2.893 -1.074 5.004 1.00 0.59 H new ATOM 0 HG23 VAL A 114 -2.721 -1.827 3.401 1.00 0.59 H new ATOM 1802 N GLY A 115 -7.740 -1.854 4.420 1.00 0.20 N ATOM 1803 CA GLY A 115 -9.105 -1.813 3.935 1.00 0.19 C ATOM 1804 C GLY A 115 -9.608 -0.387 3.875 1.00 0.19 C ATOM 1805 O GLY A 115 -10.057 0.153 4.879 1.00 0.27 O ATOM 0 H GLY A 115 -7.639 -1.700 5.423 1.00 0.20 H new ATOM 0 HA2 GLY A 115 -9.158 -2.265 2.944 1.00 0.19 H new ATOM 0 HA3 GLY A 115 -9.747 -2.403 4.589 1.00 0.19 H new ATOM 1809 N ASN A 116 -9.536 0.229 2.704 1.00 0.16 N ATOM 1810 CA ASN A 116 -9.953 1.618 2.547 1.00 0.15 C ATOM 1811 C ASN A 116 -11.465 1.737 2.381 1.00 0.16 C ATOM 1812 O ASN A 116 -12.154 0.740 2.134 1.00 0.16 O ATOM 1813 CB ASN A 116 -9.248 2.251 1.339 1.00 0.16 C ATOM 1814 CG ASN A 116 -9.385 3.763 1.297 1.00 0.17 C ATOM 1815 OD1 ASN A 116 -9.516 4.419 2.329 1.00 0.19 O ATOM 1816 ND2 ASN A 116 -9.360 4.323 0.100 1.00 0.21 N ATOM 0 H ASN A 116 -9.194 -0.209 1.849 1.00 0.16 H new ATOM 0 HA ASN A 116 -9.670 2.150 3.455 1.00 0.15 H new ATOM 0 HB2 ASN A 116 -8.190 1.988 1.364 1.00 0.16 H new ATOM 0 HB3 ASN A 116 -9.660 1.829 0.422 1.00 0.16 H new ATOM 0 HD21 ASN A 116 -9.451 5.335 0.008 1.00 0.21 H new ATOM 0 HD22 ASN A 116 -9.249 3.743 -0.732 1.00 0.21 H new ATOM 1823 N LYS A 117 -11.954 2.976 2.515 1.00 0.18 N ATOM 1824 CA LYS A 117 -13.370 3.314 2.373 1.00 0.21 C ATOM 1825 C LYS A 117 -14.188 2.821 3.562 1.00 0.23 C ATOM 1826 O LYS A 117 -15.370 2.515 3.427 1.00 0.26 O ATOM 1827 CB LYS A 117 -13.944 2.761 1.060 1.00 0.21 C ATOM 1828 CG LYS A 117 -13.177 3.209 -0.177 1.00 0.25 C ATOM 1829 CD LYS A 117 -13.764 2.610 -1.444 1.00 0.31 C ATOM 1830 CE LYS A 117 -12.840 2.808 -2.636 1.00 0.42 C ATOM 1831 NZ LYS A 117 -13.452 2.319 -3.900 1.00 0.54 N ATOM 0 H LYS A 117 -11.366 3.782 2.728 1.00 0.18 H new ATOM 0 HA LYS A 117 -13.439 4.402 2.347 1.00 0.21 H new ATOM 0 HB2 LYS A 117 -13.943 1.672 1.103 1.00 0.21 H new ATOM 0 HB3 LYS A 117 -14.983 3.076 0.967 1.00 0.21 H new ATOM 0 HG2 LYS A 117 -13.197 4.297 -0.245 1.00 0.25 H new ATOM 0 HG3 LYS A 117 -12.132 2.914 -0.085 1.00 0.25 H new ATOM 0 HD2 LYS A 117 -13.943 1.545 -1.295 1.00 0.31 H new ATOM 0 HD3 LYS A 117 -14.730 3.070 -1.651 1.00 0.31 H new ATOM 0 HE2 LYS A 117 -12.598 3.866 -2.736 1.00 0.42 H new ATOM 0 HE3 LYS A 117 -11.902 2.282 -2.460 1.00 0.42 H new ATOM 0 HZ1 LYS A 117 -12.771 2.425 -4.679 1.00 0.54 H new ATOM 0 HZ2 LYS A 117 -13.707 1.316 -3.797 1.00 0.54 H new ATOM 0 HZ3 LYS A 117 -14.307 2.873 -4.109 1.00 0.54 H new ATOM 1845 N CYS A 118 -13.570 2.791 4.740 1.00 0.27 N ATOM 1846 CA CYS A 118 -14.256 2.344 5.949 1.00 0.33 C ATOM 1847 C CYS A 118 -15.300 3.366 6.396 1.00 0.38 C ATOM 1848 O CYS A 118 -16.113 3.094 7.281 1.00 0.46 O ATOM 1849 CB CYS A 118 -13.251 2.101 7.080 1.00 0.36 C ATOM 1850 SG CYS A 118 -12.569 3.609 7.810 1.00 0.41 S ATOM 0 H CYS A 118 -12.599 3.070 4.883 1.00 0.27 H new ATOM 0 HA CYS A 118 -14.763 1.408 5.717 1.00 0.33 H new ATOM 0 HB2 CYS A 118 -13.738 1.520 7.864 1.00 0.36 H new ATOM 0 HB3 CYS A 118 -12.431 1.494 6.697 1.00 0.36 H new ATOM 0 HG CYS A 118 -11.734 3.294 8.755 1.00 0.41 H new ATOM 1856 N ASP A 119 -15.273 4.540 5.776 1.00 0.38 N ATOM 1857 CA ASP A 119 -16.211 5.606 6.105 1.00 0.45 C ATOM 1858 C ASP A 119 -17.411 5.572 5.169 1.00 0.46 C ATOM 1859 O ASP A 119 -18.341 6.372 5.305 1.00 0.54 O ATOM 1860 CB ASP A 119 -15.523 6.973 6.015 1.00 0.52 C ATOM 1861 CG ASP A 119 -15.199 7.380 4.590 1.00 0.54 C ATOM 1862 OD1 ASP A 119 -14.341 6.718 3.963 1.00 0.44 O ATOM 1863 OD2 ASP A 119 -15.784 8.373 4.107 1.00 0.70 O ATOM 0 H ASP A 119 -14.609 4.778 5.040 1.00 0.38 H new ATOM 0 HA ASP A 119 -16.556 5.449 7.127 1.00 0.45 H new ATOM 0 HB2 ASP A 119 -16.167 7.728 6.465 1.00 0.52 H new ATOM 0 HB3 ASP A 119 -14.603 6.950 6.599 1.00 0.52 H new ATOM 1868 N LEU A 120 -17.385 4.644 4.220 1.00 0.42 N ATOM 1869 CA LEU A 120 -18.466 4.501 3.253 1.00 0.45 C ATOM 1870 C LEU A 120 -19.336 3.287 3.577 1.00 0.42 C ATOM 1871 O LEU A 120 -18.888 2.347 4.243 1.00 0.44 O ATOM 1872 CB LEU A 120 -17.901 4.376 1.834 1.00 0.53 C ATOM 1873 CG LEU A 120 -17.283 5.655 1.254 1.00 0.59 C ATOM 1874 CD1 LEU A 120 -16.906 5.441 -0.205 1.00 0.67 C ATOM 1875 CD2 LEU A 120 -18.245 6.830 1.388 1.00 0.62 C ATOM 0 H LEU A 120 -16.623 3.976 4.099 1.00 0.42 H new ATOM 0 HA LEU A 120 -19.088 5.394 3.311 1.00 0.45 H new ATOM 0 HB2 LEU A 120 -17.142 3.593 1.831 1.00 0.53 H new ATOM 0 HB3 LEU A 120 -18.701 4.047 1.171 1.00 0.53 H new ATOM 0 HG LEU A 120 -16.381 5.888 1.819 1.00 0.59 H new ATOM 0 HD11 LEU A 120 -16.469 6.355 -0.606 1.00 0.67 H new ATOM 0 HD12 LEU A 120 -16.182 4.630 -0.278 1.00 0.67 H new ATOM 0 HD13 LEU A 120 -17.797 5.184 -0.777 1.00 0.67 H new ATOM 0 HD21 LEU A 120 -17.786 7.726 0.970 1.00 0.62 H new ATOM 0 HD22 LEU A 120 -19.166 6.609 0.849 1.00 0.62 H new ATOM 0 HD23 LEU A 120 -18.472 6.996 2.441 1.00 0.62 H new ATOM 1887 N PRO A 121 -20.603 3.304 3.131 1.00 0.42 N ATOM 1888 CA PRO A 121 -21.532 2.205 3.363 1.00 0.43 C ATOM 1889 C PRO A 121 -21.433 1.133 2.280 1.00 0.48 C ATOM 1890 O PRO A 121 -20.517 1.155 1.452 1.00 0.53 O ATOM 1891 CB PRO A 121 -22.885 2.909 3.302 1.00 0.44 C ATOM 1892 CG PRO A 121 -22.699 4.005 2.308 1.00 0.54 C ATOM 1893 CD PRO A 121 -21.245 4.407 2.380 1.00 0.44 C ATOM 0 HA PRO A 121 -21.342 1.677 4.298 1.00 0.43 H new ATOM 0 HB2 PRO A 121 -23.674 2.224 2.992 1.00 0.44 H new ATOM 0 HB3 PRO A 121 -23.170 3.304 4.277 1.00 0.44 H new ATOM 0 HG2 PRO A 121 -22.959 3.667 1.305 1.00 0.54 H new ATOM 0 HG3 PRO A 121 -23.347 4.851 2.537 1.00 0.54 H new ATOM 0 HD2 PRO A 121 -20.812 4.517 1.386 1.00 0.44 H new ATOM 0 HD3 PRO A 121 -21.120 5.362 2.890 1.00 0.44 H new ATOM 1901 N SER A 122 -22.384 0.204 2.297 1.00 0.52 N ATOM 1902 CA SER A 122 -22.441 -0.882 1.326 1.00 0.59 C ATOM 1903 C SER A 122 -21.179 -1.743 1.386 1.00 0.53 C ATOM 1904 O SER A 122 -20.599 -2.102 0.360 1.00 0.55 O ATOM 1905 CB SER A 122 -22.649 -0.316 -0.080 1.00 0.68 C ATOM 1906 OG SER A 122 -23.594 0.748 -0.065 1.00 0.84 O ATOM 0 H SER A 122 -23.137 0.183 2.985 1.00 0.52 H new ATOM 0 HA SER A 122 -23.287 -1.523 1.574 1.00 0.59 H new ATOM 0 HB2 SER A 122 -21.699 0.042 -0.476 1.00 0.68 H new ATOM 0 HB3 SER A 122 -22.995 -1.106 -0.747 1.00 0.68 H new ATOM 0 HG SER A 122 -23.710 1.096 -0.974 1.00 0.84 H new ATOM 1912 N ARG A 123 -20.774 -2.082 2.603 1.00 0.47 N ATOM 1913 CA ARG A 123 -19.586 -2.894 2.822 1.00 0.41 C ATOM 1914 C ARG A 123 -19.871 -4.360 2.518 1.00 0.36 C ATOM 1915 O ARG A 123 -20.629 -5.012 3.235 1.00 0.41 O ATOM 1916 CB ARG A 123 -19.109 -2.755 4.271 1.00 0.45 C ATOM 1917 CG ARG A 123 -17.872 -3.581 4.582 1.00 0.42 C ATOM 1918 CD ARG A 123 -17.757 -3.904 6.063 1.00 0.43 C ATOM 1919 NE ARG A 123 -17.668 -2.704 6.888 1.00 0.40 N ATOM 1920 CZ ARG A 123 -16.607 -2.377 7.630 1.00 0.45 C ATOM 1921 NH1 ARG A 123 -15.530 -3.154 7.651 1.00 0.55 N ATOM 1922 NH2 ARG A 123 -16.638 -1.275 8.368 1.00 0.58 N ATOM 0 H ARG A 123 -21.255 -1.804 3.458 1.00 0.47 H new ATOM 0 HA ARG A 123 -18.805 -2.540 2.149 1.00 0.41 H new ATOM 0 HB2 ARG A 123 -18.897 -1.706 4.477 1.00 0.45 H new ATOM 0 HB3 ARG A 123 -19.915 -3.055 4.941 1.00 0.45 H new ATOM 0 HG2 ARG A 123 -17.903 -4.509 4.011 1.00 0.42 H new ATOM 0 HG3 ARG A 123 -16.984 -3.038 4.260 1.00 0.42 H new ATOM 0 HD2 ARG A 123 -18.622 -4.491 6.372 1.00 0.43 H new ATOM 0 HD3 ARG A 123 -16.875 -4.523 6.230 1.00 0.43 H new ATOM 0 HE ARG A 123 -18.469 -2.073 6.899 1.00 0.40 H new ATOM 0 HH11 ARG A 123 -15.508 -4.010 7.097 1.00 0.55 H new ATOM 0 HH12 ARG A 123 -14.725 -2.895 8.221 1.00 0.55 H new ATOM 0 HH21 ARG A 123 -17.469 -0.683 8.366 1.00 0.58 H new ATOM 0 HH22 ARG A 123 -15.831 -1.019 8.937 1.00 0.58 H new ATOM 1936 N THR A 124 -19.267 -4.874 1.460 1.00 0.33 N ATOM 1937 CA THR A 124 -19.461 -6.259 1.081 1.00 0.32 C ATOM 1938 C THR A 124 -18.383 -7.136 1.704 1.00 0.30 C ATOM 1939 O THR A 124 -18.618 -8.300 2.025 1.00 0.33 O ATOM 1940 CB THR A 124 -19.439 -6.421 -0.445 1.00 0.38 C ATOM 1941 OG1 THR A 124 -18.398 -5.606 -1.007 1.00 0.65 O ATOM 1942 CG2 THR A 124 -20.782 -6.033 -1.049 1.00 0.81 C ATOM 0 H THR A 124 -18.639 -4.351 0.850 1.00 0.33 H new ATOM 0 HA THR A 124 -20.438 -6.572 1.450 1.00 0.32 H new ATOM 0 HB THR A 124 -19.245 -7.468 -0.678 1.00 0.38 H new ATOM 0 HG1 THR A 124 -17.836 -6.153 -1.594 1.00 0.65 H new ATOM 0 HG21 THR A 124 -20.743 -6.156 -2.131 1.00 0.81 H new ATOM 0 HG22 THR A 124 -21.564 -6.673 -0.639 1.00 0.81 H new ATOM 0 HG23 THR A 124 -21.002 -4.993 -0.809 1.00 0.81 H new ATOM 1950 N VAL A 125 -17.201 -6.562 1.888 1.00 0.33 N ATOM 1951 CA VAL A 125 -16.087 -7.283 2.482 1.00 0.32 C ATOM 1952 C VAL A 125 -16.084 -7.083 3.990 1.00 0.35 C ATOM 1953 O VAL A 125 -15.782 -5.991 4.478 1.00 0.37 O ATOM 1954 CB VAL A 125 -14.731 -6.815 1.913 1.00 0.31 C ATOM 1955 CG1 VAL A 125 -13.586 -7.617 2.520 1.00 0.34 C ATOM 1956 CG2 VAL A 125 -14.720 -6.915 0.396 1.00 0.28 C ATOM 0 H VAL A 125 -16.991 -5.597 1.633 1.00 0.33 H new ATOM 0 HA VAL A 125 -16.217 -8.338 2.239 1.00 0.32 H new ATOM 0 HB VAL A 125 -14.591 -5.768 2.183 1.00 0.31 H new ATOM 0 HG11 VAL A 125 -12.639 -7.271 2.105 1.00 0.34 H new ATOM 0 HG12 VAL A 125 -13.580 -7.481 3.601 1.00 0.34 H new ATOM 0 HG13 VAL A 125 -13.719 -8.674 2.288 1.00 0.34 H new ATOM 0 HG21 VAL A 125 -13.755 -6.580 0.016 1.00 0.28 H new ATOM 0 HG22 VAL A 125 -14.888 -7.950 0.098 1.00 0.28 H new ATOM 0 HG23 VAL A 125 -15.510 -6.287 -0.016 1.00 0.28 H new ATOM 1966 N ASP A 126 -16.435 -8.128 4.725 1.00 0.37 N ATOM 1967 CA ASP A 126 -16.468 -8.047 6.175 1.00 0.41 C ATOM 1968 C ASP A 126 -15.051 -7.992 6.740 1.00 0.36 C ATOM 1969 O ASP A 126 -14.112 -8.541 6.152 1.00 0.34 O ATOM 1970 CB ASP A 126 -17.237 -9.233 6.762 1.00 0.47 C ATOM 1971 CG ASP A 126 -17.600 -9.025 8.218 1.00 0.89 C ATOM 1972 OD1 ASP A 126 -17.467 -7.889 8.718 1.00 1.36 O ATOM 1973 OD2 ASP A 126 -18.031 -9.999 8.867 1.00 1.69 O ATOM 0 H ASP A 126 -16.699 -9.036 4.343 1.00 0.37 H new ATOM 0 HA ASP A 126 -16.986 -7.130 6.457 1.00 0.41 H new ATOM 0 HB2 ASP A 126 -18.147 -9.394 6.184 1.00 0.47 H new ATOM 0 HB3 ASP A 126 -16.634 -10.136 6.667 1.00 0.47 H new ATOM 1978 N THR A 127 -14.911 -7.328 7.882 1.00 0.36 N ATOM 1979 CA THR A 127 -13.625 -7.170 8.542 1.00 0.33 C ATOM 1980 C THR A 127 -12.979 -8.521 8.848 1.00 0.27 C ATOM 1981 O THR A 127 -11.771 -8.692 8.677 1.00 0.26 O ATOM 1982 CB THR A 127 -13.777 -6.365 9.848 1.00 0.39 C ATOM 1983 OG1 THR A 127 -14.672 -5.261 9.638 1.00 0.82 O ATOM 1984 CG2 THR A 127 -12.431 -5.842 10.330 1.00 0.56 C ATOM 0 H THR A 127 -15.687 -6.885 8.374 1.00 0.36 H new ATOM 0 HA THR A 127 -12.977 -6.626 7.855 1.00 0.33 H new ATOM 0 HB THR A 127 -14.182 -7.030 10.611 1.00 0.39 H new ATOM 0 HG1 THR A 127 -14.153 -4.439 9.510 1.00 0.82 H new ATOM 0 HG21 THR A 127 -12.569 -5.278 11.253 1.00 0.56 H new ATOM 0 HG22 THR A 127 -11.760 -6.681 10.514 1.00 0.56 H new ATOM 0 HG23 THR A 127 -11.999 -5.192 9.569 1.00 0.56 H new ATOM 1992 N LYS A 128 -13.798 -9.485 9.264 1.00 0.28 N ATOM 1993 CA LYS A 128 -13.308 -10.816 9.603 1.00 0.27 C ATOM 1994 C LYS A 128 -12.615 -11.480 8.416 1.00 0.24 C ATOM 1995 O LYS A 128 -11.572 -12.105 8.576 1.00 0.24 O ATOM 1996 CB LYS A 128 -14.450 -11.710 10.090 1.00 0.34 C ATOM 1997 CG LYS A 128 -13.994 -13.115 10.466 1.00 0.39 C ATOM 1998 CD LYS A 128 -15.169 -14.044 10.728 1.00 0.46 C ATOM 1999 CE LYS A 128 -14.704 -15.421 11.187 1.00 0.54 C ATOM 2000 NZ LYS A 128 -14.033 -16.188 10.099 1.00 0.62 N ATOM 0 H LYS A 128 -14.805 -9.367 9.374 1.00 0.28 H new ATOM 0 HA LYS A 128 -12.580 -10.692 10.405 1.00 0.27 H new ATOM 0 HB2 LYS A 128 -14.923 -11.245 10.955 1.00 0.34 H new ATOM 0 HB3 LYS A 128 -15.208 -11.778 9.310 1.00 0.34 H new ATOM 0 HG2 LYS A 128 -13.380 -13.524 9.663 1.00 0.39 H new ATOM 0 HG3 LYS A 128 -13.365 -13.066 11.355 1.00 0.39 H new ATOM 0 HD2 LYS A 128 -15.817 -13.606 11.487 1.00 0.46 H new ATOM 0 HD3 LYS A 128 -15.764 -14.144 9.820 1.00 0.46 H new ATOM 0 HE2 LYS A 128 -14.016 -15.308 12.025 1.00 0.54 H new ATOM 0 HE3 LYS A 128 -15.561 -15.988 11.552 1.00 0.54 H new ATOM 0 HZ1 LYS A 128 -13.812 -17.147 10.436 1.00 0.62 H new ATOM 0 HZ2 LYS A 128 -14.665 -16.248 9.275 1.00 0.62 H new ATOM 0 HZ3 LYS A 128 -13.153 -15.705 9.826 1.00 0.62 H new ATOM 2014 N GLN A 129 -13.195 -11.331 7.229 1.00 0.25 N ATOM 2015 CA GLN A 129 -12.635 -11.933 6.023 1.00 0.26 C ATOM 2016 C GLN A 129 -11.237 -11.403 5.756 1.00 0.25 C ATOM 2017 O GLN A 129 -10.311 -12.170 5.494 1.00 0.31 O ATOM 2018 CB GLN A 129 -13.524 -11.647 4.814 1.00 0.30 C ATOM 2019 CG GLN A 129 -14.988 -11.973 5.037 1.00 0.54 C ATOM 2020 CD GLN A 129 -15.842 -11.689 3.819 1.00 0.68 C ATOM 2021 OE1 GLN A 129 -16.954 -11.176 3.935 1.00 0.89 O ATOM 2022 NE2 GLN A 129 -15.337 -12.031 2.643 1.00 0.93 N ATOM 0 H GLN A 129 -14.052 -10.799 7.076 1.00 0.25 H new ATOM 0 HA GLN A 129 -12.584 -13.010 6.183 1.00 0.26 H new ATOM 0 HB2 GLN A 129 -13.433 -10.594 4.549 1.00 0.30 H new ATOM 0 HB3 GLN A 129 -13.159 -12.222 3.963 1.00 0.30 H new ATOM 0 HG2 GLN A 129 -15.085 -13.025 5.306 1.00 0.54 H new ATOM 0 HG3 GLN A 129 -15.361 -11.392 5.881 1.00 0.54 H new ATOM 0 HE21 GLN A 129 -14.410 -12.454 2.589 1.00 0.93 H new ATOM 0 HE22 GLN A 129 -15.875 -11.871 1.791 1.00 0.93 H new ATOM 2031 N ALA A 130 -11.089 -10.087 5.839 1.00 0.24 N ATOM 2032 CA ALA A 130 -9.807 -9.449 5.600 1.00 0.27 C ATOM 2033 C ALA A 130 -8.797 -9.811 6.685 1.00 0.25 C ATOM 2034 O ALA A 130 -7.640 -10.129 6.392 1.00 0.27 O ATOM 2035 CB ALA A 130 -9.990 -7.945 5.511 1.00 0.30 C ATOM 0 H ALA A 130 -11.844 -9.442 6.071 1.00 0.24 H new ATOM 0 HA ALA A 130 -9.411 -9.814 4.652 1.00 0.27 H new ATOM 0 HB1 ALA A 130 -9.025 -7.471 5.332 1.00 0.30 H new ATOM 0 HB2 ALA A 130 -10.668 -7.709 4.691 1.00 0.30 H new ATOM 0 HB3 ALA A 130 -10.408 -7.573 6.446 1.00 0.30 H new ATOM 2041 N GLN A 131 -9.253 -9.796 7.929 1.00 0.23 N ATOM 2042 CA GLN A 131 -8.404 -10.123 9.064 1.00 0.26 C ATOM 2043 C GLN A 131 -7.930 -11.572 8.961 1.00 0.27 C ATOM 2044 O GLN A 131 -6.765 -11.878 9.221 1.00 0.28 O ATOM 2045 CB GLN A 131 -9.174 -9.900 10.371 1.00 0.28 C ATOM 2046 CG GLN A 131 -8.280 -9.778 11.595 1.00 0.34 C ATOM 2047 CD GLN A 131 -7.315 -8.613 11.502 1.00 0.39 C ATOM 2048 OE1 GLN A 131 -6.196 -8.761 11.016 1.00 0.47 O ATOM 2049 NE2 GLN A 131 -7.730 -7.445 11.967 1.00 0.42 N ATOM 0 H GLN A 131 -10.213 -9.559 8.178 1.00 0.23 H new ATOM 0 HA GLN A 131 -7.530 -9.472 9.059 1.00 0.26 H new ATOM 0 HB2 GLN A 131 -9.774 -8.995 10.279 1.00 0.28 H new ATOM 0 HB3 GLN A 131 -9.867 -10.728 10.520 1.00 0.28 H new ATOM 0 HG2 GLN A 131 -8.901 -9.660 12.483 1.00 0.34 H new ATOM 0 HG3 GLN A 131 -7.716 -10.702 11.721 1.00 0.34 H new ATOM 0 HE21 GLN A 131 -8.665 -7.357 12.364 1.00 0.42 H new ATOM 0 HE22 GLN A 131 -7.114 -6.633 11.928 1.00 0.42 H new ATOM 2058 N ASP A 132 -8.842 -12.451 8.549 1.00 0.29 N ATOM 2059 CA ASP A 132 -8.547 -13.874 8.384 1.00 0.33 C ATOM 2060 C ASP A 132 -7.446 -14.085 7.360 1.00 0.28 C ATOM 2061 O ASP A 132 -6.550 -14.906 7.554 1.00 0.30 O ATOM 2062 CB ASP A 132 -9.795 -14.639 7.931 1.00 0.41 C ATOM 2063 CG ASP A 132 -10.606 -15.204 9.081 1.00 0.58 C ATOM 2064 OD1 ASP A 132 -10.068 -15.332 10.200 1.00 1.17 O ATOM 2065 OD2 ASP A 132 -11.791 -15.537 8.866 1.00 1.18 O ATOM 0 H ASP A 132 -9.803 -12.198 8.321 1.00 0.29 H new ATOM 0 HA ASP A 132 -8.218 -14.252 9.352 1.00 0.33 H new ATOM 0 HB2 ASP A 132 -10.427 -13.973 7.343 1.00 0.41 H new ATOM 0 HB3 ASP A 132 -9.493 -15.455 7.274 1.00 0.41 H new ATOM 2070 N LEU A 133 -7.525 -13.343 6.264 1.00 0.27 N ATOM 2071 CA LEU A 133 -6.540 -13.444 5.201 1.00 0.26 C ATOM 2072 C LEU A 133 -5.182 -12.940 5.678 1.00 0.21 C ATOM 2073 O LEU A 133 -4.154 -13.589 5.465 1.00 0.20 O ATOM 2074 CB LEU A 133 -7.001 -12.648 3.976 1.00 0.32 C ATOM 2075 CG LEU A 133 -6.178 -12.872 2.708 1.00 0.34 C ATOM 2076 CD1 LEU A 133 -6.261 -14.324 2.268 1.00 0.44 C ATOM 2077 CD2 LEU A 133 -6.645 -11.945 1.596 1.00 0.44 C ATOM 0 H LEU A 133 -8.265 -12.663 6.089 1.00 0.27 H new ATOM 0 HA LEU A 133 -6.439 -14.493 4.922 1.00 0.26 H new ATOM 0 HB2 LEU A 133 -8.040 -12.904 3.766 1.00 0.32 H new ATOM 0 HB3 LEU A 133 -6.978 -11.586 4.222 1.00 0.32 H new ATOM 0 HG LEU A 133 -5.136 -12.641 2.929 1.00 0.34 H new ATOM 0 HD11 LEU A 133 -5.669 -14.465 1.364 1.00 0.44 H new ATOM 0 HD12 LEU A 133 -5.874 -14.967 3.059 1.00 0.44 H new ATOM 0 HD13 LEU A 133 -7.300 -14.584 2.065 1.00 0.44 H new ATOM 0 HD21 LEU A 133 -6.047 -12.120 0.702 1.00 0.44 H new ATOM 0 HD22 LEU A 133 -7.694 -12.142 1.375 1.00 0.44 H new ATOM 0 HD23 LEU A 133 -6.529 -10.909 1.913 1.00 0.44 H new ATOM 2089 N ALA A 134 -5.191 -11.789 6.342 1.00 0.21 N ATOM 2090 CA ALA A 134 -3.966 -11.182 6.853 1.00 0.21 C ATOM 2091 C ALA A 134 -3.256 -12.105 7.841 1.00 0.22 C ATOM 2092 O ALA A 134 -2.035 -12.272 7.786 1.00 0.25 O ATOM 2093 CB ALA A 134 -4.273 -9.849 7.513 1.00 0.25 C ATOM 0 H ALA A 134 -6.037 -11.255 6.540 1.00 0.21 H new ATOM 0 HA ALA A 134 -3.299 -11.017 6.007 1.00 0.21 H new ATOM 0 HB1 ALA A 134 -3.350 -9.408 7.889 1.00 0.25 H new ATOM 0 HB2 ALA A 134 -4.725 -9.177 6.783 1.00 0.25 H new ATOM 0 HB3 ALA A 134 -4.965 -10.004 8.341 1.00 0.25 H new ATOM 2099 N ARG A 135 -4.029 -12.720 8.728 1.00 0.24 N ATOM 2100 CA ARG A 135 -3.477 -13.626 9.727 1.00 0.30 C ATOM 2101 C ARG A 135 -2.845 -14.851 9.064 1.00 0.25 C ATOM 2102 O ARG A 135 -1.881 -15.423 9.579 1.00 0.28 O ATOM 2103 CB ARG A 135 -4.570 -14.057 10.708 1.00 0.41 C ATOM 2104 CG ARG A 135 -4.671 -13.165 11.933 1.00 1.21 C ATOM 2105 CD ARG A 135 -5.716 -13.685 12.912 1.00 1.34 C ATOM 2106 NE ARG A 135 -7.045 -13.131 12.661 1.00 1.20 N ATOM 2107 CZ ARG A 135 -8.022 -13.782 12.023 1.00 1.04 C ATOM 2108 NH1 ARG A 135 -7.820 -15.019 11.574 1.00 1.54 N ATOM 2109 NH2 ARG A 135 -9.205 -13.212 11.841 1.00 1.43 N ATOM 0 H ARG A 135 -5.042 -12.607 8.776 1.00 0.24 H new ATOM 0 HA ARG A 135 -2.697 -13.097 10.275 1.00 0.30 H new ATOM 0 HB2 ARG A 135 -5.530 -14.061 10.191 1.00 0.41 H new ATOM 0 HB3 ARG A 135 -4.376 -15.081 11.029 1.00 0.41 H new ATOM 0 HG2 ARG A 135 -3.701 -13.112 12.428 1.00 1.21 H new ATOM 0 HG3 ARG A 135 -4.929 -12.151 11.627 1.00 1.21 H new ATOM 0 HD2 ARG A 135 -5.761 -14.772 12.846 1.00 1.34 H new ATOM 0 HD3 ARG A 135 -5.410 -13.439 13.929 1.00 1.34 H new ATOM 0 HE ARG A 135 -7.239 -12.187 12.994 1.00 1.20 H new ATOM 0 HH11 ARG A 135 -6.917 -15.472 11.717 1.00 1.54 H new ATOM 0 HH12 ARG A 135 -8.568 -15.513 11.087 1.00 1.54 H new ATOM 0 HH21 ARG A 135 -9.376 -12.269 12.189 1.00 1.43 H new ATOM 0 HH22 ARG A 135 -9.945 -13.717 11.353 1.00 1.43 H new ATOM 2123 N SER A 136 -3.385 -15.241 7.912 1.00 0.30 N ATOM 2124 CA SER A 136 -2.864 -16.392 7.177 1.00 0.34 C ATOM 2125 C SER A 136 -1.552 -16.043 6.476 1.00 0.29 C ATOM 2126 O SER A 136 -0.657 -16.883 6.359 1.00 0.36 O ATOM 2127 CB SER A 136 -3.894 -16.889 6.163 1.00 0.43 C ATOM 2128 OG SER A 136 -5.156 -17.075 6.782 1.00 0.68 O ATOM 0 H SER A 136 -4.179 -14.780 7.468 1.00 0.30 H new ATOM 0 HA SER A 136 -2.666 -17.190 7.893 1.00 0.34 H new ATOM 0 HB2 SER A 136 -3.985 -16.171 5.348 1.00 0.43 H new ATOM 0 HB3 SER A 136 -3.556 -17.828 5.724 1.00 0.43 H new ATOM 0 HG SER A 136 -5.549 -16.202 6.993 1.00 0.68 H new ATOM 2134 N TYR A 137 -1.442 -14.798 6.020 1.00 0.27 N ATOM 2135 CA TYR A 137 -0.232 -14.326 5.346 1.00 0.26 C ATOM 2136 C TYR A 137 0.865 -14.012 6.362 1.00 0.25 C ATOM 2137 O TYR A 137 2.055 -14.050 6.040 1.00 0.38 O ATOM 2138 CB TYR A 137 -0.519 -13.067 4.513 1.00 0.30 C ATOM 2139 CG TYR A 137 -1.304 -13.307 3.235 1.00 0.38 C ATOM 2140 CD1 TYR A 137 -1.243 -14.524 2.561 1.00 0.66 C ATOM 2141 CD2 TYR A 137 -2.101 -12.305 2.701 1.00 0.54 C ATOM 2142 CE1 TYR A 137 -1.956 -14.729 1.393 1.00 0.74 C ATOM 2143 CE2 TYR A 137 -2.817 -12.502 1.537 1.00 0.65 C ATOM 2144 CZ TYR A 137 -2.745 -13.712 0.887 1.00 0.63 C ATOM 2145 OH TYR A 137 -3.455 -13.898 -0.282 1.00 0.77 O ATOM 0 H TYR A 137 -2.177 -14.095 6.104 1.00 0.27 H new ATOM 0 HA TYR A 137 0.104 -15.124 4.683 1.00 0.26 H new ATOM 0 HB2 TYR A 137 -1.069 -12.358 5.132 1.00 0.30 H new ATOM 0 HB3 TYR A 137 0.430 -12.596 4.256 1.00 0.30 H new ATOM 0 HD1 TYR A 137 -0.630 -15.320 2.956 1.00 0.66 H new ATOM 0 HD2 TYR A 137 -2.163 -11.352 3.206 1.00 0.54 H new ATOM 0 HE1 TYR A 137 -1.897 -15.677 0.880 1.00 0.74 H new ATOM 0 HE2 TYR A 137 -3.432 -11.709 1.138 1.00 0.65 H new ATOM 0 HH TYR A 137 -4.117 -14.609 -0.153 1.00 0.77 H new ATOM 2155 N GLY A 138 0.452 -13.714 7.588 1.00 0.24 N ATOM 2156 CA GLY A 138 1.399 -13.380 8.634 1.00 0.23 C ATOM 2157 C GLY A 138 1.716 -11.903 8.620 1.00 0.21 C ATOM 2158 O GLY A 138 2.853 -11.493 8.845 1.00 0.25 O ATOM 0 H GLY A 138 -0.526 -13.698 7.877 1.00 0.24 H new ATOM 0 HA2 GLY A 138 0.989 -13.659 9.605 1.00 0.23 H new ATOM 0 HA3 GLY A 138 2.315 -13.954 8.498 1.00 0.23 H new ATOM 2162 N ILE A 139 0.700 -11.107 8.331 1.00 0.19 N ATOM 2163 CA ILE A 139 0.845 -9.660 8.265 1.00 0.20 C ATOM 2164 C ILE A 139 -0.323 -8.974 8.979 1.00 0.19 C ATOM 2165 O ILE A 139 -1.347 -9.610 9.241 1.00 0.22 O ATOM 2166 CB ILE A 139 0.915 -9.177 6.797 1.00 0.23 C ATOM 2167 CG1 ILE A 139 -0.225 -9.785 5.980 1.00 0.26 C ATOM 2168 CG2 ILE A 139 2.264 -9.523 6.175 1.00 0.28 C ATOM 2169 CD1 ILE A 139 -1.331 -8.808 5.652 1.00 0.51 C ATOM 0 H ILE A 139 -0.244 -11.442 8.136 1.00 0.19 H new ATOM 0 HA ILE A 139 1.777 -9.393 8.764 1.00 0.20 H new ATOM 0 HB ILE A 139 0.807 -8.092 6.789 1.00 0.23 H new ATOM 0 HG12 ILE A 139 0.180 -10.186 5.051 1.00 0.26 H new ATOM 0 HG13 ILE A 139 -0.647 -10.625 6.532 1.00 0.26 H new ATOM 0 HG21 ILE A 139 2.289 -9.173 5.143 1.00 0.28 H new ATOM 0 HG22 ILE A 139 3.060 -9.040 6.741 1.00 0.28 H new ATOM 0 HG23 ILE A 139 2.408 -10.603 6.196 1.00 0.28 H new ATOM 0 HD11 ILE A 139 -2.103 -9.313 5.071 1.00 0.51 H new ATOM 0 HD12 ILE A 139 -1.765 -8.426 6.576 1.00 0.51 H new ATOM 0 HD13 ILE A 139 -0.924 -7.980 5.072 1.00 0.51 H new ATOM 2181 N PRO A 140 -0.183 -7.684 9.327 1.00 0.17 N ATOM 2182 CA PRO A 140 -1.229 -6.923 10.001 1.00 0.19 C ATOM 2183 C PRO A 140 -2.249 -6.329 9.027 1.00 0.16 C ATOM 2184 O PRO A 140 -1.940 -6.065 7.859 1.00 0.19 O ATOM 2185 CB PRO A 140 -0.455 -5.797 10.714 1.00 0.24 C ATOM 2186 CG PRO A 140 0.980 -5.937 10.306 1.00 0.36 C ATOM 2187 CD PRO A 140 1.009 -6.856 9.118 1.00 0.20 C ATOM 0 HA PRO A 140 -1.812 -7.553 10.672 1.00 0.19 H new ATOM 0 HB2 PRO A 140 -0.845 -4.819 10.430 1.00 0.24 H new ATOM 0 HB3 PRO A 140 -0.560 -5.880 11.796 1.00 0.24 H new ATOM 0 HG2 PRO A 140 1.406 -4.966 10.053 1.00 0.36 H new ATOM 0 HG3 PRO A 140 1.576 -6.344 11.123 1.00 0.36 H new ATOM 0 HD2 PRO A 140 0.961 -6.306 8.178 1.00 0.20 H new ATOM 0 HD3 PRO A 140 1.919 -7.455 9.091 1.00 0.20 H new ATOM 2195 N PHE A 141 -3.464 -6.129 9.523 1.00 0.19 N ATOM 2196 CA PHE A 141 -4.547 -5.555 8.734 1.00 0.19 C ATOM 2197 C PHE A 141 -5.279 -4.483 9.536 1.00 0.19 C ATOM 2198 O PHE A 141 -5.663 -4.712 10.684 1.00 0.23 O ATOM 2199 CB PHE A 141 -5.544 -6.641 8.304 1.00 0.25 C ATOM 2200 CG PHE A 141 -6.901 -6.096 7.935 1.00 0.27 C ATOM 2201 CD1 PHE A 141 -7.092 -5.421 6.739 1.00 0.27 C ATOM 2202 CD2 PHE A 141 -7.980 -6.244 8.795 1.00 0.34 C ATOM 2203 CE1 PHE A 141 -8.334 -4.906 6.411 1.00 0.31 C ATOM 2204 CE2 PHE A 141 -9.220 -5.734 8.472 1.00 0.38 C ATOM 2205 CZ PHE A 141 -9.398 -5.063 7.279 1.00 0.35 C ATOM 0 H PHE A 141 -3.726 -6.360 10.481 1.00 0.19 H new ATOM 0 HA PHE A 141 -4.110 -5.104 7.843 1.00 0.19 H new ATOM 0 HB2 PHE A 141 -5.134 -7.183 7.452 1.00 0.25 H new ATOM 0 HB3 PHE A 141 -5.658 -7.361 9.115 1.00 0.25 H new ATOM 0 HD1 PHE A 141 -6.264 -5.296 6.057 1.00 0.27 H new ATOM 0 HD2 PHE A 141 -7.847 -6.766 9.731 1.00 0.34 H new ATOM 0 HE1 PHE A 141 -8.472 -4.382 5.477 1.00 0.31 H new ATOM 0 HE2 PHE A 141 -10.050 -5.859 9.151 1.00 0.38 H new ATOM 0 HZ PHE A 141 -10.368 -4.661 7.024 1.00 0.35 H new ATOM 2215 N ILE A 142 -5.472 -3.321 8.930 1.00 0.18 N ATOM 2216 CA ILE A 142 -6.176 -2.218 9.576 1.00 0.21 C ATOM 2217 C ILE A 142 -7.112 -1.534 8.579 1.00 0.19 C ATOM 2218 O ILE A 142 -6.746 -1.324 7.418 1.00 0.20 O ATOM 2219 CB ILE A 142 -5.200 -1.156 10.143 1.00 0.28 C ATOM 2220 CG1 ILE A 142 -4.036 -1.819 10.887 1.00 0.38 C ATOM 2221 CG2 ILE A 142 -5.934 -0.194 11.066 1.00 0.40 C ATOM 2222 CD1 ILE A 142 -2.882 -0.880 11.169 1.00 0.54 C ATOM 0 H ILE A 142 -5.149 -3.115 7.985 1.00 0.18 H new ATOM 0 HA ILE A 142 -6.743 -2.645 10.403 1.00 0.21 H new ATOM 0 HB ILE A 142 -4.792 -0.594 9.303 1.00 0.28 H new ATOM 0 HG12 ILE A 142 -4.403 -2.224 11.830 1.00 0.38 H new ATOM 0 HG13 ILE A 142 -3.672 -2.661 10.298 1.00 0.38 H new ATOM 0 HG21 ILE A 142 -5.232 0.544 11.454 1.00 0.40 H new ATOM 0 HG22 ILE A 142 -6.723 0.312 10.510 1.00 0.40 H new ATOM 0 HG23 ILE A 142 -6.373 -0.749 11.895 1.00 0.40 H new ATOM 0 HD11 ILE A 142 -2.095 -1.419 11.698 1.00 0.54 H new ATOM 0 HD12 ILE A 142 -2.489 -0.494 10.228 1.00 0.54 H new ATOM 0 HD13 ILE A 142 -3.230 -0.050 11.784 1.00 0.54 H new ATOM 2234 N GLU A 143 -8.326 -1.210 9.019 1.00 0.22 N ATOM 2235 CA GLU A 143 -9.292 -0.527 8.167 1.00 0.21 C ATOM 2236 C GLU A 143 -8.918 0.944 8.082 1.00 0.21 C ATOM 2237 O GLU A 143 -8.491 1.539 9.078 1.00 0.27 O ATOM 2238 CB GLU A 143 -10.716 -0.685 8.711 1.00 0.28 C ATOM 2239 CG GLU A 143 -11.240 -2.113 8.644 1.00 0.34 C ATOM 2240 CD GLU A 143 -12.340 -2.379 9.650 1.00 0.54 C ATOM 2241 OE1 GLU A 143 -12.102 -2.164 10.857 1.00 0.87 O ATOM 2242 OE2 GLU A 143 -13.447 -2.800 9.243 1.00 0.88 O ATOM 0 H GLU A 143 -8.662 -1.410 9.961 1.00 0.22 H new ATOM 0 HA GLU A 143 -9.269 -0.973 7.173 1.00 0.21 H new ATOM 0 HB2 GLU A 143 -10.740 -0.347 9.747 1.00 0.28 H new ATOM 0 HB3 GLU A 143 -11.385 -0.035 8.148 1.00 0.28 H new ATOM 0 HG2 GLU A 143 -11.616 -2.311 7.640 1.00 0.34 H new ATOM 0 HG3 GLU A 143 -10.417 -2.806 8.819 1.00 0.34 H new ATOM 2249 N THR A 144 -9.085 1.534 6.909 1.00 0.24 N ATOM 2250 CA THR A 144 -8.719 2.925 6.702 1.00 0.27 C ATOM 2251 C THR A 144 -9.744 3.687 5.872 1.00 0.26 C ATOM 2252 O THR A 144 -10.675 3.114 5.305 1.00 0.28 O ATOM 2253 CB THR A 144 -7.362 3.025 5.985 1.00 0.36 C ATOM 2254 OG1 THR A 144 -7.422 2.314 4.744 1.00 0.43 O ATOM 2255 CG2 THR A 144 -6.247 2.459 6.844 1.00 0.36 C ATOM 0 H THR A 144 -9.472 1.071 6.086 1.00 0.24 H new ATOM 0 HA THR A 144 -8.670 3.373 7.695 1.00 0.27 H new ATOM 0 HB THR A 144 -7.149 4.078 5.799 1.00 0.36 H new ATOM 0 HG1 THR A 144 -6.708 2.629 4.152 1.00 0.43 H new ATOM 0 HG21 THR A 144 -5.299 2.543 6.312 1.00 0.36 H new ATOM 0 HG22 THR A 144 -6.189 3.017 7.779 1.00 0.36 H new ATOM 0 HG23 THR A 144 -6.450 1.410 7.060 1.00 0.36 H new ATOM 2263 N SER A 145 -9.540 4.993 5.804 1.00 0.25 N ATOM 2264 CA SER A 145 -10.392 5.888 5.040 1.00 0.26 C ATOM 2265 C SER A 145 -9.577 7.111 4.627 1.00 0.26 C ATOM 2266 O SER A 145 -9.081 7.843 5.478 1.00 0.30 O ATOM 2267 CB SER A 145 -11.602 6.318 5.873 1.00 0.27 C ATOM 2268 OG SER A 145 -12.230 7.466 5.320 1.00 0.33 O ATOM 0 H SER A 145 -8.772 5.465 6.282 1.00 0.25 H new ATOM 0 HA SER A 145 -10.758 5.371 4.153 1.00 0.26 H new ATOM 0 HB2 SER A 145 -12.319 5.499 5.926 1.00 0.27 H new ATOM 0 HB3 SER A 145 -11.286 6.531 6.894 1.00 0.27 H new ATOM 0 HG SER A 145 -12.754 7.206 4.534 1.00 0.33 H new ATOM 2274 N ALA A 146 -9.425 7.322 3.329 1.00 0.33 N ATOM 2275 CA ALA A 146 -8.666 8.460 2.824 1.00 0.34 C ATOM 2276 C ALA A 146 -9.416 9.764 3.069 1.00 0.29 C ATOM 2277 O ALA A 146 -8.815 10.837 3.152 1.00 0.32 O ATOM 2278 CB ALA A 146 -8.381 8.288 1.340 1.00 0.45 C ATOM 0 H ALA A 146 -9.817 6.721 2.604 1.00 0.33 H new ATOM 0 HA ALA A 146 -7.719 8.504 3.362 1.00 0.34 H new ATOM 0 HB1 ALA A 146 -7.814 9.145 0.977 1.00 0.45 H new ATOM 0 HB2 ALA A 146 -7.803 7.377 1.184 1.00 0.45 H new ATOM 0 HB3 ALA A 146 -9.322 8.218 0.794 1.00 0.45 H new ATOM 2284 N LYS A 147 -10.727 9.665 3.212 1.00 0.33 N ATOM 2285 CA LYS A 147 -11.558 10.839 3.435 1.00 0.40 C ATOM 2286 C LYS A 147 -11.431 11.356 4.872 1.00 0.40 C ATOM 2287 O LYS A 147 -11.362 12.567 5.098 1.00 0.52 O ATOM 2288 CB LYS A 147 -13.016 10.515 3.108 1.00 0.50 C ATOM 2289 CG LYS A 147 -13.824 11.728 2.676 1.00 0.75 C ATOM 2290 CD LYS A 147 -15.208 11.332 2.186 1.00 1.10 C ATOM 2291 CE LYS A 147 -16.147 12.531 2.122 1.00 1.04 C ATOM 2292 NZ LYS A 147 -17.462 12.190 1.510 1.00 1.32 N ATOM 0 H LYS A 147 -11.240 8.784 3.178 1.00 0.33 H new ATOM 0 HA LYS A 147 -11.210 11.631 2.772 1.00 0.40 H new ATOM 0 HB2 LYS A 147 -13.045 9.768 2.315 1.00 0.50 H new ATOM 0 HB3 LYS A 147 -13.486 10.068 3.984 1.00 0.50 H new ATOM 0 HG2 LYS A 147 -13.918 12.420 3.513 1.00 0.75 H new ATOM 0 HG3 LYS A 147 -13.294 12.256 1.883 1.00 0.75 H new ATOM 0 HD2 LYS A 147 -15.128 10.879 1.198 1.00 1.10 H new ATOM 0 HD3 LYS A 147 -15.627 10.576 2.851 1.00 1.10 H new ATOM 0 HE2 LYS A 147 -16.307 12.918 3.128 1.00 1.04 H new ATOM 0 HE3 LYS A 147 -15.676 13.327 1.545 1.00 1.04 H new ATOM 0 HZ1 LYS A 147 -18.065 13.037 1.489 1.00 1.32 H new ATOM 0 HZ2 LYS A 147 -17.315 11.846 0.540 1.00 1.32 H new ATOM 0 HZ3 LYS A 147 -17.926 11.449 2.074 1.00 1.32 H new ATOM 2306 N THR A 148 -11.370 10.446 5.834 1.00 0.37 N ATOM 2307 CA THR A 148 -11.268 10.839 7.237 1.00 0.41 C ATOM 2308 C THR A 148 -9.844 10.691 7.769 1.00 0.42 C ATOM 2309 O THR A 148 -9.554 11.116 8.888 1.00 0.49 O ATOM 2310 CB THR A 148 -12.231 10.012 8.117 1.00 0.43 C ATOM 2311 OG1 THR A 148 -11.967 8.612 7.958 1.00 0.40 O ATOM 2312 CG2 THR A 148 -13.675 10.298 7.741 1.00 0.52 C ATOM 0 H THR A 148 -11.389 9.439 5.674 1.00 0.37 H new ATOM 0 HA THR A 148 -11.547 11.891 7.287 1.00 0.41 H new ATOM 0 HB THR A 148 -12.071 10.296 9.157 1.00 0.43 H new ATOM 0 HG1 THR A 148 -12.217 8.333 7.052 1.00 0.40 H new ATOM 0 HG21 THR A 148 -14.339 9.707 8.371 1.00 0.52 H new ATOM 0 HG22 THR A 148 -13.886 11.358 7.886 1.00 0.52 H new ATOM 0 HG23 THR A 148 -13.838 10.035 6.696 1.00 0.52 H new ATOM 2320 N ARG A 149 -8.967 10.089 6.966 1.00 0.39 N ATOM 2321 CA ARG A 149 -7.566 9.867 7.348 1.00 0.46 C ATOM 2322 C ARG A 149 -7.479 8.896 8.536 1.00 0.48 C ATOM 2323 O ARG A 149 -6.494 8.873 9.276 1.00 0.66 O ATOM 2324 CB ARG A 149 -6.862 11.198 7.683 1.00 0.54 C ATOM 2325 CG ARG A 149 -5.341 11.100 7.694 1.00 0.98 C ATOM 2326 CD ARG A 149 -4.701 12.329 8.317 1.00 0.93 C ATOM 2327 NE ARG A 149 -3.423 12.008 8.958 1.00 1.19 N ATOM 2328 CZ ARG A 149 -2.613 12.924 9.498 1.00 1.06 C ATOM 2329 NH1 ARG A 149 -2.953 14.207 9.474 1.00 1.53 N ATOM 2330 NH2 ARG A 149 -1.478 12.552 10.073 1.00 1.39 N ATOM 0 H ARG A 149 -9.202 9.742 6.036 1.00 0.39 H new ATOM 0 HA ARG A 149 -7.052 9.421 6.496 1.00 0.46 H new ATOM 0 HB2 ARG A 149 -7.164 11.952 6.956 1.00 0.54 H new ATOM 0 HB3 ARG A 149 -7.202 11.543 8.659 1.00 0.54 H new ATOM 0 HG2 ARG A 149 -5.038 10.212 8.248 1.00 0.98 H new ATOM 0 HG3 ARG A 149 -4.977 10.978 6.674 1.00 0.98 H new ATOM 0 HD2 ARG A 149 -4.543 13.086 7.549 1.00 0.93 H new ATOM 0 HD3 ARG A 149 -5.380 12.759 9.054 1.00 0.93 H new ATOM 0 HE ARG A 149 -3.135 11.030 8.994 1.00 1.19 H new ATOM 0 HH11 ARG A 149 -3.832 14.494 9.044 1.00 1.53 H new ATOM 0 HH12 ARG A 149 -2.335 14.906 9.886 1.00 1.53 H new ATOM 0 HH21 ARG A 149 -1.221 11.565 10.104 1.00 1.39 H new ATOM 0 HH22 ARG A 149 -0.861 13.252 10.484 1.00 1.39 H new ATOM 2344 N GLN A 150 -8.513 8.085 8.703 1.00 0.40 N ATOM 2345 CA GLN A 150 -8.560 7.120 9.789 1.00 0.42 C ATOM 2346 C GLN A 150 -7.772 5.864 9.445 1.00 0.42 C ATOM 2347 O GLN A 150 -7.948 5.284 8.373 1.00 0.51 O ATOM 2348 CB GLN A 150 -10.012 6.752 10.094 1.00 0.48 C ATOM 2349 CG GLN A 150 -10.144 5.578 11.047 1.00 0.52 C ATOM 2350 CD GLN A 150 -11.587 5.229 11.354 1.00 0.69 C ATOM 2351 OE1 GLN A 150 -12.457 6.102 11.354 1.00 0.87 O ATOM 2352 NE2 GLN A 150 -11.855 3.959 11.623 1.00 0.87 N ATOM 0 H GLN A 150 -9.333 8.077 8.097 1.00 0.40 H new ATOM 0 HA GLN A 150 -8.106 7.577 10.668 1.00 0.42 H new ATOM 0 HB2 GLN A 150 -10.517 7.618 10.522 1.00 0.48 H new ATOM 0 HB3 GLN A 150 -10.523 6.514 9.161 1.00 0.48 H new ATOM 0 HG2 GLN A 150 -9.649 4.708 10.615 1.00 0.52 H new ATOM 0 HG3 GLN A 150 -9.626 5.811 11.977 1.00 0.52 H new ATOM 0 HE21 GLN A 150 -11.106 3.266 11.613 1.00 0.87 H new ATOM 0 HE22 GLN A 150 -12.810 3.674 11.840 1.00 0.87 H new ATOM 2361 N GLY A 151 -6.863 5.485 10.335 1.00 0.42 N ATOM 2362 CA GLY A 151 -6.071 4.282 10.144 1.00 0.51 C ATOM 2363 C GLY A 151 -4.926 4.449 9.161 1.00 0.45 C ATOM 2364 O GLY A 151 -3.930 3.734 9.243 1.00 0.42 O ATOM 0 H GLY A 151 -6.658 5.995 11.195 1.00 0.42 H new ATOM 0 HA2 GLY A 151 -5.668 3.968 11.107 1.00 0.51 H new ATOM 0 HA3 GLY A 151 -6.723 3.481 9.795 1.00 0.51 H new ATOM 2368 N VAL A 152 -5.065 5.390 8.237 1.00 0.49 N ATOM 2369 CA VAL A 152 -4.047 5.641 7.220 1.00 0.50 C ATOM 2370 C VAL A 152 -2.694 5.961 7.852 1.00 0.39 C ATOM 2371 O VAL A 152 -1.656 5.468 7.405 1.00 0.41 O ATOM 2372 CB VAL A 152 -4.459 6.793 6.281 1.00 0.61 C ATOM 2373 CG1 VAL A 152 -3.569 6.824 5.045 1.00 0.74 C ATOM 2374 CG2 VAL A 152 -5.925 6.667 5.890 1.00 0.67 C ATOM 0 H VAL A 152 -5.881 5.999 8.169 1.00 0.49 H new ATOM 0 HA VAL A 152 -3.956 4.726 6.635 1.00 0.50 H new ATOM 0 HB VAL A 152 -4.329 7.734 6.815 1.00 0.61 H new ATOM 0 HG11 VAL A 152 -3.876 7.644 4.396 1.00 0.74 H new ATOM 0 HG12 VAL A 152 -2.532 6.970 5.347 1.00 0.74 H new ATOM 0 HG13 VAL A 152 -3.661 5.881 4.507 1.00 0.74 H new ATOM 0 HG21 VAL A 152 -6.197 7.489 5.227 1.00 0.67 H new ATOM 0 HG22 VAL A 152 -6.084 5.719 5.376 1.00 0.67 H new ATOM 0 HG23 VAL A 152 -6.545 6.703 6.786 1.00 0.67 H new ATOM 2384 N ASP A 153 -2.715 6.766 8.904 1.00 0.37 N ATOM 2385 CA ASP A 153 -1.491 7.146 9.599 1.00 0.38 C ATOM 2386 C ASP A 153 -0.812 5.909 10.181 1.00 0.32 C ATOM 2387 O ASP A 153 0.390 5.703 10.020 1.00 0.33 O ATOM 2388 CB ASP A 153 -1.816 8.142 10.714 1.00 0.51 C ATOM 2389 CG ASP A 153 -0.622 8.986 11.124 1.00 0.87 C ATOM 2390 OD1 ASP A 153 0.148 8.554 12.010 1.00 1.62 O ATOM 2391 OD2 ASP A 153 -0.469 10.100 10.575 1.00 1.24 O ATOM 0 H ASP A 153 -3.566 7.170 9.296 1.00 0.37 H new ATOM 0 HA ASP A 153 -0.811 7.617 8.889 1.00 0.38 H new ATOM 0 HB2 ASP A 153 -2.621 8.798 10.384 1.00 0.51 H new ATOM 0 HB3 ASP A 153 -2.185 7.598 11.583 1.00 0.51 H new ATOM 2396 N ASP A 154 -1.613 5.077 10.830 1.00 0.31 N ATOM 2397 CA ASP A 154 -1.122 3.849 11.448 1.00 0.32 C ATOM 2398 C ASP A 154 -0.612 2.869 10.401 1.00 0.31 C ATOM 2399 O ASP A 154 0.465 2.294 10.557 1.00 0.34 O ATOM 2400 CB ASP A 154 -2.230 3.182 12.270 1.00 0.38 C ATOM 2401 CG ASP A 154 -2.291 3.695 13.693 1.00 0.71 C ATOM 2402 OD1 ASP A 154 -2.805 4.818 13.904 1.00 0.99 O ATOM 2403 OD2 ASP A 154 -1.846 2.970 14.612 1.00 1.00 O ATOM 0 H ASP A 154 -2.615 5.230 10.944 1.00 0.31 H new ATOM 0 HA ASP A 154 -0.295 4.121 12.104 1.00 0.32 H new ATOM 0 HB2 ASP A 154 -3.191 3.354 11.785 1.00 0.38 H new ATOM 0 HB3 ASP A 154 -2.068 2.104 12.283 1.00 0.38 H new ATOM 2408 N ALA A 155 -1.389 2.689 9.336 1.00 0.30 N ATOM 2409 CA ALA A 155 -1.039 1.765 8.261 1.00 0.32 C ATOM 2410 C ALA A 155 0.346 2.063 7.688 1.00 0.29 C ATOM 2411 O ALA A 155 1.190 1.168 7.581 1.00 0.31 O ATOM 2412 CB ALA A 155 -2.088 1.820 7.158 1.00 0.37 C ATOM 0 H ALA A 155 -2.274 3.176 9.194 1.00 0.30 H new ATOM 0 HA ALA A 155 -1.013 0.760 8.683 1.00 0.32 H new ATOM 0 HB1 ALA A 155 -1.816 1.127 6.362 1.00 0.37 H new ATOM 0 HB2 ALA A 155 -3.060 1.541 7.566 1.00 0.37 H new ATOM 0 HB3 ALA A 155 -2.140 2.832 6.756 1.00 0.37 H new ATOM 2418 N PHE A 156 0.576 3.322 7.332 1.00 0.28 N ATOM 2419 CA PHE A 156 1.854 3.738 6.763 1.00 0.30 C ATOM 2420 C PHE A 156 2.998 3.526 7.754 1.00 0.29 C ATOM 2421 O PHE A 156 4.094 3.117 7.367 1.00 0.33 O ATOM 2422 CB PHE A 156 1.799 5.203 6.328 1.00 0.36 C ATOM 2423 CG PHE A 156 1.372 5.391 4.897 1.00 0.55 C ATOM 2424 CD1 PHE A 156 2.195 4.991 3.852 1.00 1.21 C ATOM 2425 CD2 PHE A 156 0.152 5.976 4.593 1.00 0.92 C ATOM 2426 CE1 PHE A 156 1.809 5.171 2.536 1.00 1.46 C ATOM 2427 CE2 PHE A 156 -0.239 6.158 3.281 1.00 1.05 C ATOM 2428 CZ PHE A 156 0.589 5.756 2.250 1.00 1.11 C ATOM 0 H PHE A 156 -0.107 4.074 7.427 1.00 0.28 H new ATOM 0 HA PHE A 156 2.043 3.117 5.887 1.00 0.30 H new ATOM 0 HB2 PHE A 156 1.109 5.741 6.978 1.00 0.36 H new ATOM 0 HB3 PHE A 156 2.783 5.652 6.467 1.00 0.36 H new ATOM 0 HD1 PHE A 156 3.149 4.533 4.070 1.00 1.21 H new ATOM 0 HD2 PHE A 156 -0.501 6.293 5.393 1.00 0.92 H new ATOM 0 HE1 PHE A 156 2.459 4.855 1.733 1.00 1.46 H new ATOM 0 HE2 PHE A 156 -1.192 6.615 3.061 1.00 1.05 H new ATOM 0 HZ PHE A 156 0.284 5.898 1.224 1.00 1.11 H new ATOM 2438 N TYR A 157 2.741 3.808 9.028 1.00 0.29 N ATOM 2439 CA TYR A 157 3.751 3.637 10.071 1.00 0.34 C ATOM 2440 C TYR A 157 4.058 2.157 10.280 1.00 0.32 C ATOM 2441 O TYR A 157 5.214 1.767 10.448 1.00 0.35 O ATOM 2442 CB TYR A 157 3.282 4.255 11.394 1.00 0.43 C ATOM 2443 CG TYR A 157 3.449 5.759 11.480 1.00 0.47 C ATOM 2444 CD1 TYR A 157 3.318 6.566 10.355 1.00 0.86 C ATOM 2445 CD2 TYR A 157 3.734 6.370 12.695 1.00 0.88 C ATOM 2446 CE1 TYR A 157 3.470 7.938 10.441 1.00 0.98 C ATOM 2447 CE2 TYR A 157 3.884 7.741 12.788 1.00 0.98 C ATOM 2448 CZ TYR A 157 3.751 8.521 11.659 1.00 0.79 C ATOM 2449 OH TYR A 157 3.910 9.885 11.747 1.00 0.99 O ATOM 0 H TYR A 157 1.843 4.156 9.364 1.00 0.29 H new ATOM 0 HA TYR A 157 4.656 4.149 9.745 1.00 0.34 H new ATOM 0 HB2 TYR A 157 2.230 4.010 11.542 1.00 0.43 H new ATOM 0 HB3 TYR A 157 3.835 3.793 12.212 1.00 0.43 H new ATOM 0 HD1 TYR A 157 3.094 6.115 9.400 1.00 0.86 H new ATOM 0 HD2 TYR A 157 3.840 5.763 13.582 1.00 0.88 H new ATOM 0 HE1 TYR A 157 3.369 8.551 9.557 1.00 0.98 H new ATOM 0 HE2 TYR A 157 4.104 8.199 13.741 1.00 0.98 H new ATOM 0 HH TYR A 157 4.102 10.133 12.675 1.00 0.99 H new ATOM 2459 N THR A 158 3.016 1.342 10.259 1.00 0.29 N ATOM 2460 CA THR A 158 3.158 -0.093 10.443 1.00 0.28 C ATOM 2461 C THR A 158 4.012 -0.693 9.325 1.00 0.25 C ATOM 2462 O THR A 158 4.859 -1.548 9.576 1.00 0.29 O ATOM 2463 CB THR A 158 1.780 -0.789 10.469 1.00 0.29 C ATOM 2464 OG1 THR A 158 0.939 -0.190 11.471 1.00 0.30 O ATOM 2465 CG2 THR A 158 1.923 -2.279 10.748 1.00 0.34 C ATOM 0 H THR A 158 2.055 1.653 10.115 1.00 0.29 H new ATOM 0 HA THR A 158 3.650 -0.257 11.402 1.00 0.28 H new ATOM 0 HB THR A 158 1.323 -0.662 9.488 1.00 0.29 H new ATOM 0 HG1 THR A 158 0.528 0.623 11.110 1.00 0.30 H new ATOM 0 HG21 THR A 158 0.937 -2.743 10.761 1.00 0.34 H new ATOM 0 HG22 THR A 158 2.530 -2.739 9.968 1.00 0.34 H new ATOM 0 HG23 THR A 158 2.404 -2.424 11.715 1.00 0.34 H new ATOM 2473 N LEU A 159 3.808 -0.218 8.098 1.00 0.23 N ATOM 2474 CA LEU A 159 4.563 -0.718 6.956 1.00 0.23 C ATOM 2475 C LEU A 159 6.062 -0.506 7.162 1.00 0.22 C ATOM 2476 O LEU A 159 6.866 -1.401 6.902 1.00 0.21 O ATOM 2477 CB LEU A 159 4.109 -0.026 5.671 1.00 0.25 C ATOM 2478 CG LEU A 159 4.732 -0.575 4.388 1.00 0.28 C ATOM 2479 CD1 LEU A 159 4.339 -2.025 4.178 1.00 0.40 C ATOM 2480 CD2 LEU A 159 4.325 0.265 3.193 1.00 0.42 C ATOM 0 H LEU A 159 3.129 0.509 7.872 1.00 0.23 H new ATOM 0 HA LEU A 159 4.373 -1.788 6.867 1.00 0.23 H new ATOM 0 HB2 LEU A 159 3.025 -0.109 5.595 1.00 0.25 H new ATOM 0 HB3 LEU A 159 4.343 1.036 5.746 1.00 0.25 H new ATOM 0 HG LEU A 159 5.816 -0.526 4.489 1.00 0.28 H new ATOM 0 HD11 LEU A 159 4.793 -2.396 3.259 1.00 0.40 H new ATOM 0 HD12 LEU A 159 4.687 -2.622 5.021 1.00 0.40 H new ATOM 0 HD13 LEU A 159 3.254 -2.101 4.103 1.00 0.40 H new ATOM 0 HD21 LEU A 159 4.779 -0.143 2.290 1.00 0.42 H new ATOM 0 HD22 LEU A 159 3.240 0.251 3.091 1.00 0.42 H new ATOM 0 HD23 LEU A 159 4.663 1.291 3.337 1.00 0.42 H new ATOM 2492 N VAL A 160 6.429 0.674 7.655 1.00 0.26 N ATOM 2493 CA VAL A 160 7.833 0.994 7.899 1.00 0.29 C ATOM 2494 C VAL A 160 8.421 0.050 8.935 1.00 0.27 C ATOM 2495 O VAL A 160 9.535 -0.454 8.776 1.00 0.28 O ATOM 2496 CB VAL A 160 8.027 2.445 8.388 1.00 0.37 C ATOM 2497 CG1 VAL A 160 9.508 2.775 8.535 1.00 0.55 C ATOM 2498 CG2 VAL A 160 7.351 3.421 7.440 1.00 0.34 C ATOM 0 H VAL A 160 5.777 1.422 7.893 1.00 0.26 H new ATOM 0 HA VAL A 160 8.348 0.879 6.945 1.00 0.29 H new ATOM 0 HB VAL A 160 7.561 2.539 9.369 1.00 0.37 H new ATOM 0 HG11 VAL A 160 9.619 3.803 8.881 1.00 0.55 H new ATOM 0 HG12 VAL A 160 9.962 2.098 9.259 1.00 0.55 H new ATOM 0 HG13 VAL A 160 10.004 2.661 7.571 1.00 0.55 H new ATOM 0 HG21 VAL A 160 7.498 4.439 7.800 1.00 0.34 H new ATOM 0 HG22 VAL A 160 7.785 3.322 6.445 1.00 0.34 H new ATOM 0 HG23 VAL A 160 6.284 3.203 7.393 1.00 0.34 H new ATOM 2508 N ARG A 161 7.657 -0.198 9.990 1.00 0.26 N ATOM 2509 CA ARG A 161 8.097 -1.081 11.054 1.00 0.28 C ATOM 2510 C ARG A 161 8.200 -2.515 10.554 1.00 0.23 C ATOM 2511 O ARG A 161 9.077 -3.264 10.981 1.00 0.23 O ATOM 2512 CB ARG A 161 7.159 -0.979 12.253 1.00 0.37 C ATOM 2513 CG ARG A 161 7.412 0.260 13.095 1.00 0.51 C ATOM 2514 CD ARG A 161 6.298 0.511 14.094 1.00 0.61 C ATOM 2515 NE ARG A 161 6.598 1.649 14.965 1.00 0.64 N ATOM 2516 CZ ARG A 161 5.684 2.520 15.395 1.00 0.76 C ATOM 2517 NH1 ARG A 161 4.413 2.381 15.035 1.00 0.82 N ATOM 2518 NH2 ARG A 161 6.045 3.524 16.188 1.00 0.90 N ATOM 0 H ARG A 161 6.729 0.202 10.129 1.00 0.26 H new ATOM 0 HA ARG A 161 9.091 -0.769 11.376 1.00 0.28 H new ATOM 0 HB2 ARG A 161 6.127 -0.969 11.902 1.00 0.37 H new ATOM 0 HB3 ARG A 161 7.275 -1.866 12.876 1.00 0.37 H new ATOM 0 HG2 ARG A 161 8.357 0.149 13.627 1.00 0.51 H new ATOM 0 HG3 ARG A 161 7.514 1.127 12.442 1.00 0.51 H new ATOM 0 HD2 ARG A 161 5.366 0.697 13.561 1.00 0.61 H new ATOM 0 HD3 ARG A 161 6.145 -0.381 14.701 1.00 0.61 H new ATOM 0 HE ARG A 161 7.565 1.784 15.261 1.00 0.64 H new ATOM 0 HH11 ARG A 161 4.136 1.608 14.430 1.00 0.82 H new ATOM 0 HH12 ARG A 161 3.714 3.047 15.364 1.00 0.82 H new ATOM 0 HH21 ARG A 161 7.021 3.628 16.467 1.00 0.90 H new ATOM 0 HH22 ARG A 161 5.346 4.190 16.517 1.00 0.90 H new ATOM 2532 N GLU A 162 7.309 -2.899 9.646 1.00 0.22 N ATOM 2533 CA GLU A 162 7.349 -4.239 9.077 1.00 0.22 C ATOM 2534 C GLU A 162 8.625 -4.399 8.257 1.00 0.21 C ATOM 2535 O GLU A 162 9.239 -5.469 8.238 1.00 0.25 O ATOM 2536 CB GLU A 162 6.116 -4.506 8.208 1.00 0.25 C ATOM 2537 CG GLU A 162 4.828 -4.667 9.003 1.00 0.31 C ATOM 2538 CD GLU A 162 5.001 -5.539 10.228 1.00 0.52 C ATOM 2539 OE1 GLU A 162 5.266 -6.753 10.068 1.00 0.73 O ATOM 2540 OE2 GLU A 162 4.876 -5.019 11.360 1.00 0.68 O ATOM 0 H GLU A 162 6.558 -2.307 9.292 1.00 0.22 H new ATOM 0 HA GLU A 162 7.344 -4.967 9.888 1.00 0.22 H new ATOM 0 HB2 GLU A 162 5.996 -3.684 7.502 1.00 0.25 H new ATOM 0 HB3 GLU A 162 6.285 -5.409 7.621 1.00 0.25 H new ATOM 0 HG2 GLU A 162 4.470 -3.684 9.310 1.00 0.31 H new ATOM 0 HG3 GLU A 162 4.061 -5.099 8.360 1.00 0.31 H new ATOM 2547 N ILE A 163 9.020 -3.318 7.586 1.00 0.20 N ATOM 2548 CA ILE A 163 10.241 -3.307 6.793 1.00 0.23 C ATOM 2549 C ILE A 163 11.437 -3.503 7.716 1.00 0.22 C ATOM 2550 O ILE A 163 12.298 -4.351 7.467 1.00 0.22 O ATOM 2551 CB ILE A 163 10.418 -1.980 6.016 1.00 0.29 C ATOM 2552 CG1 ILE A 163 9.273 -1.773 5.023 1.00 0.27 C ATOM 2553 CG2 ILE A 163 11.755 -1.969 5.291 1.00 0.42 C ATOM 2554 CD1 ILE A 163 9.274 -0.402 4.383 1.00 0.31 C ATOM 0 H ILE A 163 8.507 -2.436 7.578 1.00 0.20 H new ATOM 0 HA ILE A 163 10.173 -4.116 6.066 1.00 0.23 H new ATOM 0 HB ILE A 163 10.399 -1.159 6.733 1.00 0.29 H new ATOM 0 HG12 ILE A 163 9.338 -2.531 4.242 1.00 0.27 H new ATOM 0 HG13 ILE A 163 8.324 -1.925 5.537 1.00 0.27 H new ATOM 0 HG21 ILE A 163 11.867 -1.030 4.748 1.00 0.42 H new ATOM 0 HG22 ILE A 163 12.563 -2.068 6.016 1.00 0.42 H new ATOM 0 HG23 ILE A 163 11.795 -2.801 4.588 1.00 0.42 H new ATOM 0 HD11 ILE A 163 8.436 -0.323 3.690 1.00 0.31 H new ATOM 0 HD12 ILE A 163 9.179 0.360 5.156 1.00 0.31 H new ATOM 0 HD13 ILE A 163 10.208 -0.254 3.841 1.00 0.31 H new ATOM 2566 N ARG A 164 11.462 -2.726 8.797 1.00 0.22 N ATOM 2567 CA ARG A 164 12.536 -2.805 9.780 1.00 0.23 C ATOM 2568 C ARG A 164 12.580 -4.196 10.388 1.00 0.23 C ATOM 2569 O ARG A 164 13.647 -4.777 10.541 1.00 0.25 O ATOM 2570 CB ARG A 164 12.341 -1.767 10.884 1.00 0.26 C ATOM 2571 CG ARG A 164 12.561 -0.337 10.431 1.00 0.33 C ATOM 2572 CD ARG A 164 12.439 0.632 11.595 1.00 0.42 C ATOM 2573 NE ARG A 164 12.690 2.016 11.193 1.00 0.55 N ATOM 2574 CZ ARG A 164 12.107 3.070 11.764 1.00 0.66 C ATOM 2575 NH1 ARG A 164 11.244 2.893 12.756 1.00 0.69 N ATOM 2576 NH2 ARG A 164 12.389 4.301 11.347 1.00 0.87 N ATOM 0 H ARG A 164 10.746 -2.032 9.013 1.00 0.22 H new ATOM 0 HA ARG A 164 13.479 -2.599 9.273 1.00 0.23 H new ATOM 0 HB2 ARG A 164 11.330 -1.860 11.282 1.00 0.26 H new ATOM 0 HB3 ARG A 164 13.027 -1.988 11.702 1.00 0.26 H new ATOM 0 HG2 ARG A 164 13.548 -0.244 9.978 1.00 0.33 H new ATOM 0 HG3 ARG A 164 11.832 -0.080 9.662 1.00 0.33 H new ATOM 0 HD2 ARG A 164 11.440 0.556 12.025 1.00 0.42 H new ATOM 0 HD3 ARG A 164 13.145 0.349 12.376 1.00 0.42 H new ATOM 0 HE ARG A 164 13.349 2.184 10.432 1.00 0.55 H new ATOM 0 HH11 ARG A 164 11.027 1.951 13.081 1.00 0.69 H new ATOM 0 HH12 ARG A 164 10.797 3.699 13.193 1.00 0.69 H new ATOM 0 HH21 ARG A 164 13.054 4.442 10.587 1.00 0.87 H new ATOM 0 HH22 ARG A 164 11.940 5.104 11.787 1.00 0.87 H new ATOM 2590 N LYS A 165 11.404 -4.722 10.713 1.00 0.27 N ATOM 2591 CA LYS A 165 11.276 -6.055 11.287 1.00 0.32 C ATOM 2592 C LYS A 165 11.936 -7.093 10.380 1.00 0.31 C ATOM 2593 O LYS A 165 12.647 -7.980 10.849 1.00 0.33 O ATOM 2594 CB LYS A 165 9.795 -6.396 11.488 1.00 0.43 C ATOM 2595 CG LYS A 165 9.556 -7.700 12.228 1.00 0.87 C ATOM 2596 CD LYS A 165 8.125 -8.182 12.061 1.00 0.97 C ATOM 2597 CE LYS A 165 7.143 -7.336 12.862 1.00 0.74 C ATOM 2598 NZ LYS A 165 5.733 -7.652 12.518 1.00 0.80 N ATOM 0 H LYS A 165 10.516 -4.237 10.586 1.00 0.27 H new ATOM 0 HA LYS A 165 11.780 -6.070 12.253 1.00 0.32 H new ATOM 0 HB2 LYS A 165 9.318 -5.585 12.038 1.00 0.43 H new ATOM 0 HB3 LYS A 165 9.310 -6.449 10.514 1.00 0.43 H new ATOM 0 HG2 LYS A 165 10.243 -8.461 11.857 1.00 0.87 H new ATOM 0 HG3 LYS A 165 9.774 -7.563 13.287 1.00 0.87 H new ATOM 0 HD2 LYS A 165 7.853 -8.153 11.006 1.00 0.97 H new ATOM 0 HD3 LYS A 165 8.053 -9.222 12.380 1.00 0.97 H new ATOM 0 HE2 LYS A 165 7.303 -7.504 13.927 1.00 0.74 H new ATOM 0 HE3 LYS A 165 7.335 -6.280 12.673 1.00 0.74 H new ATOM 0 HZ1 LYS A 165 5.106 -6.928 12.924 1.00 0.80 H new ATOM 0 HZ2 LYS A 165 5.623 -7.665 11.484 1.00 0.80 H new ATOM 0 HZ3 LYS A 165 5.482 -8.584 12.905 1.00 0.80 H new ATOM 2612 N HIS A 166 11.714 -6.954 9.077 1.00 0.31 N ATOM 2613 CA HIS A 166 12.271 -7.872 8.086 1.00 0.32 C ATOM 2614 C HIS A 166 13.780 -7.691 7.944 1.00 0.29 C ATOM 2615 O HIS A 166 14.507 -8.644 7.658 1.00 0.34 O ATOM 2616 CB HIS A 166 11.565 -7.655 6.733 1.00 0.37 C ATOM 2617 CG HIS A 166 12.286 -8.206 5.530 1.00 0.46 C ATOM 2618 ND1 HIS A 166 12.185 -9.519 5.113 1.00 0.60 N ATOM 2619 CD2 HIS A 166 13.104 -7.598 4.634 1.00 0.54 C ATOM 2620 CE1 HIS A 166 12.906 -9.689 4.019 1.00 0.71 C ATOM 2621 NE2 HIS A 166 13.470 -8.541 3.709 1.00 0.67 N ATOM 0 H HIS A 166 11.146 -6.206 8.678 1.00 0.31 H new ATOM 0 HA HIS A 166 12.099 -8.894 8.423 1.00 0.32 H new ATOM 0 HB2 HIS A 166 10.576 -8.110 6.782 1.00 0.37 H new ATOM 0 HB3 HIS A 166 11.417 -6.585 6.588 1.00 0.37 H new ATOM 0 HD1 HIS A 166 11.639 -10.244 5.577 1.00 0.60 H new ATOM 0 HD2 HIS A 166 13.410 -6.562 4.647 1.00 0.54 H new ATOM 0 HE1 HIS A 166 13.014 -10.614 3.472 1.00 0.71 H new ATOM 2630 N LYS A 167 14.250 -6.471 8.150 1.00 0.27 N ATOM 2631 CA LYS A 167 15.666 -6.172 8.018 1.00 0.30 C ATOM 2632 C LYS A 167 16.416 -6.424 9.323 1.00 0.29 C ATOM 2633 O LYS A 167 17.638 -6.309 9.368 1.00 0.40 O ATOM 2634 CB LYS A 167 15.859 -4.724 7.554 1.00 0.37 C ATOM 2635 CG LYS A 167 15.187 -4.427 6.219 1.00 0.45 C ATOM 2636 CD LYS A 167 15.270 -2.951 5.859 1.00 0.62 C ATOM 2637 CE LYS A 167 16.629 -2.594 5.278 1.00 1.11 C ATOM 2638 NZ LYS A 167 16.634 -1.235 4.678 1.00 0.97 N ATOM 0 H LYS A 167 13.671 -5.672 8.409 1.00 0.27 H new ATOM 0 HA LYS A 167 16.083 -6.842 7.267 1.00 0.30 H new ATOM 0 HB2 LYS A 167 15.460 -4.050 8.312 1.00 0.37 H new ATOM 0 HB3 LYS A 167 16.926 -4.515 7.471 1.00 0.37 H new ATOM 0 HG2 LYS A 167 15.659 -5.019 5.435 1.00 0.45 H new ATOM 0 HG3 LYS A 167 14.141 -4.732 6.263 1.00 0.45 H new ATOM 0 HD2 LYS A 167 14.490 -2.707 5.138 1.00 0.62 H new ATOM 0 HD3 LYS A 167 15.083 -2.348 6.747 1.00 0.62 H new ATOM 0 HE2 LYS A 167 17.385 -2.648 6.062 1.00 1.11 H new ATOM 0 HE3 LYS A 167 16.904 -3.327 4.519 1.00 1.11 H new ATOM 0 HZ1 LYS A 167 17.562 -1.049 4.248 1.00 0.97 H new ATOM 0 HZ2 LYS A 167 15.896 -1.175 3.948 1.00 0.97 H new ATOM 0 HZ3 LYS A 167 16.447 -0.528 5.418 1.00 0.97 H new ATOM 2652 N GLU A 168 15.690 -6.770 10.380 1.00 0.26 N ATOM 2653 CA GLU A 168 16.320 -7.045 11.667 1.00 0.29 C ATOM 2654 C GLU A 168 16.086 -8.492 12.097 1.00 0.33 C ATOM 2655 O GLU A 168 16.305 -8.855 13.256 1.00 0.47 O ATOM 2656 CB GLU A 168 15.816 -6.077 12.743 1.00 0.35 C ATOM 2657 CG GLU A 168 14.405 -6.353 13.240 1.00 0.42 C ATOM 2658 CD GLU A 168 14.147 -5.731 14.599 1.00 0.63 C ATOM 2659 OE1 GLU A 168 14.903 -6.034 15.544 1.00 0.94 O ATOM 2660 OE2 GLU A 168 13.194 -4.936 14.733 1.00 1.12 O ATOM 0 H GLU A 168 14.675 -6.866 10.373 1.00 0.26 H new ATOM 0 HA GLU A 168 17.393 -6.896 11.548 1.00 0.29 H new ATOM 0 HB2 GLU A 168 16.499 -6.113 13.592 1.00 0.35 H new ATOM 0 HB3 GLU A 168 15.854 -5.063 12.346 1.00 0.35 H new ATOM 0 HG2 GLU A 168 13.685 -5.963 12.521 1.00 0.42 H new ATOM 0 HG3 GLU A 168 14.246 -7.430 13.298 1.00 0.42 H new ATOM 2667 N LYS A 169 15.637 -9.311 11.156 1.00 0.34 N ATOM 2668 CA LYS A 169 15.385 -10.719 11.429 1.00 0.41 C ATOM 2669 C LYS A 169 16.709 -11.455 11.609 1.00 0.59 C ATOM 2670 O LYS A 169 17.435 -11.626 10.607 1.00 0.72 O ATOM 2671 CB LYS A 169 14.575 -11.357 10.290 1.00 0.43 C ATOM 2672 CG LYS A 169 13.120 -10.922 10.249 1.00 0.69 C ATOM 2673 CD LYS A 169 12.421 -11.419 8.993 1.00 0.81 C ATOM 2674 CE LYS A 169 11.728 -12.753 9.217 1.00 1.07 C ATOM 2675 NZ LYS A 169 10.256 -12.593 9.357 1.00 1.47 N ATOM 2676 OXT LYS A 169 17.026 -11.844 12.755 1.00 0.82 O ATOM 0 H LYS A 169 15.440 -9.025 10.197 1.00 0.34 H new ATOM 0 HA LYS A 169 14.803 -10.797 12.347 1.00 0.41 H new ATOM 0 HB2 LYS A 169 15.045 -11.107 9.339 1.00 0.43 H new ATOM 0 HB3 LYS A 169 14.617 -12.441 10.391 1.00 0.43 H new ATOM 0 HG2 LYS A 169 12.601 -11.302 11.129 1.00 0.69 H new ATOM 0 HG3 LYS A 169 13.064 -9.834 10.291 1.00 0.69 H new ATOM 0 HD2 LYS A 169 11.688 -10.680 8.669 1.00 0.81 H new ATOM 0 HD3 LYS A 169 13.149 -11.519 8.188 1.00 0.81 H new ATOM 0 HE2 LYS A 169 11.944 -13.420 8.382 1.00 1.07 H new ATOM 0 HE3 LYS A 169 12.129 -13.225 10.114 1.00 1.07 H new ATOM 0 HZ1 LYS A 169 9.862 -13.421 9.848 1.00 1.47 H new ATOM 0 HZ2 LYS A 169 10.051 -11.734 9.907 1.00 1.47 H new ATOM 0 HZ3 LYS A 169 9.824 -12.512 8.414 1.00 1.47 H new