USER MOD reduce.3.24.130724 H: found=0, std=0, add=990, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 987 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 44 ASN : amide:sc= -1.54 X(o=-4.9,f=-4.5!) USER MOD Set 1.2: A 45 GLN : amide:sc= -1.28 K(o=-4.9,f=-10!) USER MOD Set 1.3: A 114 ASN : amide:sc= -2.13! K(o=-4.9!,f=-3.8) USER MOD Set 2.1: A 30 HIS : no HD1:sc=-0.00458 K(o=-0.0046,f=-2.1) USER MOD Set 2.2: A 33 LYS NZ :NH3+ -170:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ -154:sc= -0.0307 (180deg=-0.407) USER MOD Single : A 10 ASN : amide:sc= -2.81! C(o=-2.8!,f=-2.7!) USER MOD Single : A 11 ASN : amide:sc= -2.05 K(o=-2.1,f=-8.2!) USER MOD Single : A 14 LYS NZ :NH3+ 161:sc= 0.294 (180deg=0.17) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl -137:sc= -3.78! (180deg=-6.88!) USER MOD Single : A 22 HIS : no HD1:sc= -1.83 K(o=-1.8,f=-2.5) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.905 X(o=-0.91,f=-1.3) USER MOD Single : A 47 THR OG1 : rot -127:sc= 1.14 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot -175:sc= -1.54! USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0557 USER MOD Single : A 71 ASN : amide:sc= -1.24 K(o=-1.2,f=-0.64) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -2.56 K(o=-2.6,f=-8.6!) USER MOD Single : A 85 GLN : amide:sc= -2.08! C(o=-2.1!,f=-6.8!) USER MOD Single : A 86 TYR OH : rot 180:sc= -0.442 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot 0:sc= -5.45! USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.0506 USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 150:sc= -0.389 (180deg=-0.837) USER MOD Single : A 101 SER OG : rot -89:sc= -0.828 USER MOD Single : A 103 ASN : amide:sc= -0.761 K(o=-0.76,f=-0.15) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 HIS : no HE2:sc= -0.317 K(o=-0.32,f=-1) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 15 N GLN A 2 2.482 2.463 1.216 1.00 0.82 N ATOM 16 CA GLN A 2 3.263 2.426 2.482 1.00 0.80 C ATOM 17 C GLN A 2 3.097 3.748 3.235 1.00 0.78 C ATOM 18 O GLN A 2 2.830 4.779 2.650 1.00 0.75 O ATOM 19 CB GLN A 2 4.742 2.211 2.153 1.00 0.69 C ATOM 20 CG GLN A 2 5.376 3.540 1.730 1.00 0.55 C ATOM 21 CD GLN A 2 6.209 3.331 0.464 1.00 1.29 C ATOM 22 OE1 GLN A 2 7.120 2.527 0.447 1.00 2.09 O ATOM 23 NE2 GLN A 2 5.934 4.028 -0.603 1.00 1.89 N ATOM 0 HA GLN A 2 2.900 1.610 3.107 1.00 0.80 H new ATOM 0 HB2 GLN A 2 5.263 1.809 3.022 1.00 0.69 H new ATOM 0 HB3 GLN A 2 4.844 1.478 1.353 1.00 0.69 H new ATOM 0 HG2 GLN A 2 4.600 4.283 1.548 1.00 0.55 H new ATOM 0 HG3 GLN A 2 6.005 3.926 2.532 1.00 0.55 H new ATOM 0 HE21 GLN A 2 5.169 4.703 -0.588 1.00 1.89 H new ATOM 0 HE22 GLN A 2 6.484 3.898 -1.452 1.00 1.89 H new ATOM 32 N VAL A 3 3.260 3.726 4.529 1.00 0.85 N ATOM 33 CA VAL A 3 3.124 4.975 5.323 1.00 0.81 C ATOM 34 C VAL A 3 4.517 5.480 5.706 1.00 0.66 C ATOM 35 O VAL A 3 5.479 4.737 5.698 1.00 0.70 O ATOM 36 CB VAL A 3 2.320 4.678 6.589 1.00 0.96 C ATOM 37 CG1 VAL A 3 1.373 3.505 6.334 1.00 0.28 C ATOM 38 CG2 VAL A 3 3.278 4.320 7.728 1.00 1.87 C ATOM 0 H VAL A 3 3.483 2.891 5.071 1.00 0.85 H new ATOM 0 HA VAL A 3 2.610 5.736 4.735 1.00 0.81 H new ATOM 0 HB VAL A 3 1.739 5.559 6.863 1.00 0.96 H new ATOM 0 HG11 VAL A 3 0.801 3.296 7.238 1.00 0.28 H new ATOM 0 HG12 VAL A 3 0.690 3.758 5.523 1.00 0.28 H new ATOM 0 HG13 VAL A 3 1.952 2.623 6.058 1.00 0.28 H new ATOM 0 HG21 VAL A 3 2.706 4.108 8.631 1.00 1.87 H new ATOM 0 HG22 VAL A 3 3.859 3.440 7.452 1.00 1.87 H new ATOM 0 HG23 VAL A 3 3.952 5.157 7.913 1.00 1.87 H new ATOM 48 N ASP A 4 4.639 6.736 6.035 1.00 0.57 N ATOM 49 CA ASP A 4 5.976 7.280 6.408 1.00 0.41 C ATOM 50 C ASP A 4 6.410 6.710 7.765 1.00 0.22 C ATOM 51 O ASP A 4 5.758 6.911 8.770 1.00 0.22 O ATOM 52 CB ASP A 4 5.895 8.808 6.494 1.00 0.55 C ATOM 53 CG ASP A 4 7.263 9.370 6.884 1.00 0.89 C ATOM 54 OD1 ASP A 4 7.651 9.192 8.027 1.00 1.41 O ATOM 55 OD2 ASP A 4 7.898 9.970 6.032 1.00 0.96 O ATOM 0 H ASP A 4 3.873 7.409 6.062 1.00 0.57 H new ATOM 0 HA ASP A 4 6.707 6.994 5.651 1.00 0.41 H new ATOM 0 HB2 ASP A 4 5.580 9.221 5.535 1.00 0.55 H new ATOM 0 HB3 ASP A 4 5.146 9.102 7.229 1.00 0.55 H new ATOM 60 N VAL A 5 7.511 6.004 7.797 1.00 0.25 N ATOM 61 CA VAL A 5 7.995 5.424 9.086 1.00 0.43 C ATOM 62 C VAL A 5 9.516 5.567 9.166 1.00 0.34 C ATOM 63 O VAL A 5 10.220 5.381 8.193 1.00 0.31 O ATOM 64 CB VAL A 5 7.632 3.940 9.162 1.00 0.62 C ATOM 65 CG1 VAL A 5 6.535 3.726 10.204 1.00 1.02 C ATOM 66 CG2 VAL A 5 7.140 3.466 7.795 1.00 1.64 C ATOM 0 H VAL A 5 8.096 5.804 6.986 1.00 0.25 H new ATOM 0 HA VAL A 5 7.524 5.955 9.913 1.00 0.43 H new ATOM 0 HB VAL A 5 8.514 3.368 9.450 1.00 0.62 H new ATOM 0 HG11 VAL A 5 6.281 2.667 10.253 1.00 1.02 H new ATOM 0 HG12 VAL A 5 6.889 4.060 11.179 1.00 1.02 H new ATOM 0 HG13 VAL A 5 5.651 4.298 9.924 1.00 1.02 H new ATOM 0 HG21 VAL A 5 6.881 2.409 7.848 1.00 1.64 H new ATOM 0 HG22 VAL A 5 6.260 4.041 7.506 1.00 1.64 H new ATOM 0 HG23 VAL A 5 7.927 3.610 7.055 1.00 1.64 H new ATOM 76 N LYS A 6 10.030 5.889 10.320 1.00 0.36 N ATOM 77 CA LYS A 6 11.503 6.039 10.467 1.00 0.38 C ATOM 78 C LYS A 6 12.043 4.910 11.346 1.00 0.33 C ATOM 79 O LYS A 6 11.814 4.875 12.539 1.00 0.42 O ATOM 80 CB LYS A 6 11.811 7.391 11.118 1.00 0.57 C ATOM 81 CG LYS A 6 13.091 7.971 10.513 1.00 0.64 C ATOM 82 CD LYS A 6 13.051 9.500 10.592 1.00 1.02 C ATOM 83 CE LYS A 6 12.823 9.931 12.042 1.00 1.51 C ATOM 84 NZ LYS A 6 11.445 10.477 12.187 1.00 3.36 N ATOM 0 H LYS A 6 9.491 6.055 11.170 1.00 0.36 H new ATOM 0 HA LYS A 6 11.977 5.992 9.487 1.00 0.38 H new ATOM 0 HB2 LYS A 6 10.979 8.079 10.963 1.00 0.57 H new ATOM 0 HB3 LYS A 6 11.928 7.269 12.195 1.00 0.57 H new ATOM 0 HG2 LYS A 6 13.962 7.592 11.048 1.00 0.64 H new ATOM 0 HG3 LYS A 6 13.191 7.653 9.475 1.00 0.64 H new ATOM 0 HD2 LYS A 6 13.986 9.918 10.220 1.00 1.02 H new ATOM 0 HD3 LYS A 6 12.254 9.887 9.957 1.00 1.02 H new ATOM 0 HE2 LYS A 6 12.961 9.082 12.711 1.00 1.51 H new ATOM 0 HE3 LYS A 6 13.556 10.685 12.328 1.00 1.51 H new ATOM 0 HZ1 LYS A 6 11.419 11.147 12.982 1.00 3.36 H new ATOM 0 HZ2 LYS A 6 11.172 10.968 11.312 1.00 3.36 H new ATOM 0 HZ3 LYS A 6 10.780 9.698 12.368 1.00 3.36 H new ATOM 98 N ASP A 7 12.762 3.986 10.769 1.00 0.23 N ATOM 99 CA ASP A 7 13.318 2.866 11.578 1.00 0.18 C ATOM 100 C ASP A 7 14.244 3.442 12.655 1.00 0.16 C ATOM 101 O ASP A 7 15.218 4.104 12.357 1.00 0.30 O ATOM 102 CB ASP A 7 14.121 1.928 10.672 1.00 0.23 C ATOM 103 CG ASP A 7 13.429 1.803 9.312 1.00 0.33 C ATOM 104 OD1 ASP A 7 12.209 1.813 9.286 1.00 2.24 O ATOM 105 OD2 ASP A 7 14.131 1.697 8.321 1.00 2.08 O ATOM 0 H ASP A 7 12.988 3.959 9.775 1.00 0.23 H new ATOM 0 HA ASP A 7 12.504 2.310 12.044 1.00 0.18 H new ATOM 0 HB2 ASP A 7 15.133 2.312 10.542 1.00 0.23 H new ATOM 0 HB3 ASP A 7 14.210 0.946 11.137 1.00 0.23 H new ATOM 110 N CYS A 8 13.951 3.201 13.903 1.00 0.08 N ATOM 111 CA CYS A 8 14.819 3.745 14.986 1.00 0.12 C ATOM 112 C CYS A 8 15.835 2.682 15.414 1.00 0.11 C ATOM 113 O CYS A 8 16.354 2.717 16.513 1.00 0.24 O ATOM 114 CB CYS A 8 13.953 4.135 16.184 1.00 0.12 C ATOM 115 SG CYS A 8 13.702 2.688 17.240 1.00 0.34 S ATOM 0 H CYS A 8 13.151 2.653 14.219 1.00 0.08 H new ATOM 0 HA CYS A 8 15.349 4.623 14.618 1.00 0.12 H new ATOM 0 HB2 CYS A 8 14.434 4.933 16.750 1.00 0.12 H new ATOM 0 HB3 CYS A 8 12.992 4.521 15.842 1.00 0.12 H new ATOM 120 N ALA A 9 16.124 1.739 14.557 1.00 0.25 N ATOM 121 CA ALA A 9 17.108 0.677 14.921 1.00 0.23 C ATOM 122 C ALA A 9 18.486 1.040 14.377 1.00 0.21 C ATOM 123 O ALA A 9 19.334 1.549 15.082 1.00 0.24 O ATOM 124 CB ALA A 9 16.694 -0.656 14.299 1.00 0.36 C ATOM 0 H ALA A 9 15.723 1.658 13.623 1.00 0.25 H new ATOM 0 HA ALA A 9 17.137 0.594 16.007 1.00 0.23 H new ATOM 0 HB1 ALA A 9 17.418 -1.424 14.570 1.00 0.36 H new ATOM 0 HB2 ALA A 9 15.708 -0.939 14.668 1.00 0.36 H new ATOM 0 HB3 ALA A 9 16.660 -0.556 13.214 1.00 0.36 H new ATOM 130 N ASN A 10 18.718 0.753 13.127 1.00 0.38 N ATOM 131 CA ASN A 10 20.046 1.050 12.530 1.00 0.44 C ATOM 132 C ASN A 10 20.066 0.577 11.072 1.00 0.61 C ATOM 133 O ASN A 10 20.899 -0.215 10.680 1.00 0.71 O ATOM 134 CB ASN A 10 21.107 0.293 13.324 1.00 0.45 C ATOM 135 CG ASN A 10 21.797 1.250 14.300 1.00 0.55 C ATOM 136 OD1 ASN A 10 21.954 0.942 15.465 1.00 1.71 O ATOM 137 ND2 ASN A 10 22.217 2.407 13.869 1.00 1.60 N ATOM 0 H ASN A 10 18.043 0.325 12.493 1.00 0.38 H new ATOM 0 HA ASN A 10 20.244 2.121 12.561 1.00 0.44 H new ATOM 0 HB2 ASN A 10 20.648 -0.531 13.870 1.00 0.45 H new ATOM 0 HB3 ASN A 10 21.841 -0.143 12.646 1.00 0.45 H new ATOM 0 HD21 ASN A 10 22.677 3.053 14.510 1.00 1.60 H new ATOM 0 HD22 ASN A 10 22.085 2.665 12.891 1.00 1.60 H new ATOM 144 N ASN A 11 19.149 1.048 10.270 1.00 0.65 N ATOM 145 CA ASN A 11 19.113 0.616 8.843 1.00 0.81 C ATOM 146 C ASN A 11 18.741 -0.867 8.777 1.00 0.85 C ATOM 147 O ASN A 11 19.417 -1.659 8.150 1.00 1.58 O ATOM 148 CB ASN A 11 20.488 0.824 8.207 1.00 0.88 C ATOM 149 CG ASN A 11 20.976 2.246 8.492 1.00 2.65 C ATOM 150 OD1 ASN A 11 21.127 2.632 9.635 1.00 4.76 O ATOM 151 ND2 ASN A 11 21.230 3.050 7.495 1.00 2.55 N ATOM 0 H ASN A 11 18.424 1.712 10.541 1.00 0.65 H new ATOM 0 HA ASN A 11 18.374 1.207 8.302 1.00 0.81 H new ATOM 0 HB2 ASN A 11 21.197 0.099 8.605 1.00 0.88 H new ATOM 0 HB3 ASN A 11 20.431 0.657 7.131 1.00 0.88 H new ATOM 0 HD21 ASN A 11 21.554 4.000 7.676 1.00 2.55 H new ATOM 0 HD22 ASN A 11 21.104 2.728 6.535 1.00 2.55 H new ATOM 158 N GLU A 12 17.673 -1.249 9.424 1.00 0.46 N ATOM 159 CA GLU A 12 17.263 -2.681 9.403 1.00 0.49 C ATOM 160 C GLU A 12 15.938 -2.833 8.649 1.00 0.36 C ATOM 161 O GLU A 12 15.862 -3.508 7.645 1.00 0.35 O ATOM 162 CB GLU A 12 17.089 -3.178 10.838 1.00 0.54 C ATOM 163 CG GLU A 12 18.254 -4.099 11.208 1.00 0.67 C ATOM 164 CD GLU A 12 19.577 -3.422 10.850 1.00 0.79 C ATOM 165 OE1 GLU A 12 19.962 -2.505 11.558 1.00 1.08 O ATOM 166 OE2 GLU A 12 20.185 -3.831 9.875 1.00 0.71 O ATOM 0 H GLU A 12 17.068 -0.632 9.965 1.00 0.46 H new ATOM 0 HA GLU A 12 18.032 -3.268 8.900 1.00 0.49 H new ATOM 0 HB2 GLU A 12 17.049 -2.332 11.524 1.00 0.54 H new ATOM 0 HB3 GLU A 12 16.144 -3.713 10.936 1.00 0.54 H new ATOM 0 HG2 GLU A 12 18.227 -4.326 12.274 1.00 0.67 H new ATOM 0 HG3 GLU A 12 18.164 -5.047 10.678 1.00 0.67 H new ATOM 173 N ILE A 13 14.889 -2.220 9.130 1.00 0.29 N ATOM 174 CA ILE A 13 13.575 -2.348 8.435 1.00 0.17 C ATOM 175 C ILE A 13 13.703 -1.874 6.985 1.00 0.22 C ATOM 176 O ILE A 13 14.088 -0.752 6.721 1.00 0.34 O ATOM 177 CB ILE A 13 12.524 -1.494 9.150 1.00 0.20 C ATOM 178 CG1 ILE A 13 12.352 -1.993 10.591 1.00 0.15 C ATOM 179 CG2 ILE A 13 11.193 -1.582 8.401 1.00 0.48 C ATOM 180 CD1 ILE A 13 10.987 -2.668 10.759 1.00 0.33 C ATOM 0 H ILE A 13 14.885 -1.640 9.969 1.00 0.29 H new ATOM 0 HA ILE A 13 13.270 -3.394 8.451 1.00 0.17 H new ATOM 0 HB ILE A 13 12.851 -0.454 9.169 1.00 0.20 H new ATOM 0 HG12 ILE A 13 13.147 -2.697 10.837 1.00 0.15 H new ATOM 0 HG13 ILE A 13 12.441 -1.158 11.286 1.00 0.15 H new ATOM 0 HG21 ILE A 13 10.447 -0.973 8.912 1.00 0.48 H new ATOM 0 HG22 ILE A 13 11.324 -1.216 7.383 1.00 0.48 H new ATOM 0 HG23 ILE A 13 10.859 -2.619 8.374 1.00 0.48 H new ATOM 0 HD11 ILE A 13 10.878 -3.017 11.786 1.00 0.33 H new ATOM 0 HD12 ILE A 13 10.197 -1.952 10.533 1.00 0.33 H new ATOM 0 HD13 ILE A 13 10.914 -3.516 10.078 1.00 0.33 H new ATOM 192 N LYS A 14 13.368 -2.716 6.046 1.00 0.18 N ATOM 193 CA LYS A 14 13.453 -2.311 4.617 1.00 0.30 C ATOM 194 C LYS A 14 12.336 -1.312 4.321 1.00 0.19 C ATOM 195 O LYS A 14 12.378 -0.607 3.337 1.00 0.23 O ATOM 196 CB LYS A 14 13.274 -3.541 3.721 1.00 0.64 C ATOM 197 CG LYS A 14 14.341 -4.584 4.051 1.00 0.77 C ATOM 198 CD LYS A 14 15.707 -4.083 3.581 1.00 0.91 C ATOM 199 CE LYS A 14 16.554 -3.708 4.796 1.00 0.89 C ATOM 200 NZ LYS A 14 17.940 -4.229 4.624 1.00 1.33 N ATOM 0 H LYS A 14 13.039 -3.668 6.208 1.00 0.18 H new ATOM 0 HA LYS A 14 14.425 -1.859 4.422 1.00 0.30 H new ATOM 0 HB2 LYS A 14 12.281 -3.966 3.866 1.00 0.64 H new ATOM 0 HB3 LYS A 14 13.347 -3.252 2.673 1.00 0.64 H new ATOM 0 HG2 LYS A 14 14.361 -4.773 5.124 1.00 0.77 H new ATOM 0 HG3 LYS A 14 14.102 -5.530 3.566 1.00 0.77 H new ATOM 0 HD2 LYS A 14 16.209 -4.855 2.998 1.00 0.91 H new ATOM 0 HD3 LYS A 14 15.585 -3.219 2.928 1.00 0.91 H new ATOM 0 HE2 LYS A 14 16.575 -2.625 4.916 1.00 0.89 H new ATOM 0 HE3 LYS A 14 16.110 -4.121 5.702 1.00 0.89 H new ATOM 0 HZ1 LYS A 14 18.584 -3.720 5.262 1.00 1.33 H new ATOM 0 HZ2 LYS A 14 17.960 -5.244 4.850 1.00 1.33 H new ATOM 0 HZ3 LYS A 14 18.245 -4.087 3.640 1.00 1.33 H new ATOM 214 N LYS A 15 11.341 -1.264 5.180 1.00 0.32 N ATOM 215 CA LYS A 15 10.183 -0.340 5.008 1.00 0.62 C ATOM 216 C LYS A 15 8.958 -1.035 5.588 1.00 0.46 C ATOM 217 O LYS A 15 8.774 -2.226 5.434 1.00 0.39 O ATOM 218 CB LYS A 15 9.908 -0.029 3.533 1.00 1.02 C ATOM 219 CG LYS A 15 9.614 -1.328 2.791 1.00 1.12 C ATOM 220 CD LYS A 15 9.117 -1.013 1.380 1.00 0.88 C ATOM 221 CE LYS A 15 9.277 -2.248 0.492 1.00 0.48 C ATOM 222 NZ LYS A 15 10.505 -2.103 -0.338 1.00 1.18 N ATOM 0 H LYS A 15 11.288 -1.847 6.016 1.00 0.32 H new ATOM 0 HA LYS A 15 10.406 0.601 5.511 1.00 0.62 H new ATOM 0 HB2 LYS A 15 9.062 0.653 3.445 1.00 1.02 H new ATOM 0 HB3 LYS A 15 10.769 0.471 3.088 1.00 1.02 H new ATOM 0 HG2 LYS A 15 10.513 -1.942 2.742 1.00 1.12 H new ATOM 0 HG3 LYS A 15 8.863 -1.905 3.331 1.00 1.12 H new ATOM 0 HD2 LYS A 15 8.071 -0.708 1.412 1.00 0.88 H new ATOM 0 HD3 LYS A 15 9.680 -0.178 0.963 1.00 0.88 H new ATOM 0 HE2 LYS A 15 9.344 -3.146 1.107 1.00 0.48 H new ATOM 0 HE3 LYS A 15 8.403 -2.365 -0.149 1.00 0.48 H new ATOM 0 HZ1 LYS A 15 10.616 -2.942 -0.943 1.00 1.18 H new ATOM 0 HZ2 LYS A 15 10.423 -1.255 -0.934 1.00 1.18 H new ATOM 0 HZ3 LYS A 15 11.335 -2.011 0.282 1.00 1.18 H new ATOM 236 N VAL A 16 8.121 -0.308 6.250 1.00 0.41 N ATOM 237 CA VAL A 16 6.908 -0.924 6.843 1.00 0.25 C ATOM 238 C VAL A 16 5.681 -0.328 6.152 1.00 0.22 C ATOM 239 O VAL A 16 5.554 0.873 6.025 1.00 0.26 O ATOM 240 CB VAL A 16 6.888 -0.616 8.336 1.00 0.26 C ATOM 241 CG1 VAL A 16 5.688 0.275 8.659 1.00 0.26 C ATOM 242 CG2 VAL A 16 6.792 -1.919 9.137 1.00 0.23 C ATOM 0 H VAL A 16 8.221 0.694 6.410 1.00 0.41 H new ATOM 0 HA VAL A 16 6.906 -2.005 6.706 1.00 0.25 H new ATOM 0 HB VAL A 16 7.808 -0.098 8.607 1.00 0.26 H new ATOM 0 HG11 VAL A 16 5.675 0.495 9.727 1.00 0.26 H new ATOM 0 HG12 VAL A 16 5.765 1.206 8.098 1.00 0.26 H new ATOM 0 HG13 VAL A 16 4.768 -0.240 8.383 1.00 0.26 H new ATOM 0 HG21 VAL A 16 6.778 -1.691 10.203 1.00 0.23 H new ATOM 0 HG22 VAL A 16 5.877 -2.446 8.867 1.00 0.23 H new ATOM 0 HG23 VAL A 16 7.653 -2.549 8.912 1.00 0.23 H new ATOM 252 N MET A 17 4.791 -1.155 5.674 1.00 0.17 N ATOM 253 CA MET A 17 3.599 -0.620 4.957 1.00 0.18 C ATOM 254 C MET A 17 2.309 -1.156 5.589 1.00 0.15 C ATOM 255 O MET A 17 2.247 -2.280 6.044 1.00 0.42 O ATOM 256 CB MET A 17 3.674 -1.051 3.486 1.00 0.37 C ATOM 257 CG MET A 17 5.114 -0.906 2.975 1.00 0.46 C ATOM 258 SD MET A 17 5.628 -2.438 2.158 1.00 0.53 S ATOM 259 CE MET A 17 6.738 -3.038 3.457 1.00 0.76 C ATOM 0 H MET A 17 4.837 -2.171 5.748 1.00 0.17 H new ATOM 0 HA MET A 17 3.591 0.468 5.029 1.00 0.18 H new ATOM 0 HB2 MET A 17 3.344 -2.085 3.383 1.00 0.37 H new ATOM 0 HB3 MET A 17 3.001 -0.440 2.884 1.00 0.37 H new ATOM 0 HG2 MET A 17 5.180 -0.071 2.278 1.00 0.46 H new ATOM 0 HG3 MET A 17 5.784 -0.683 3.805 1.00 0.46 H new ATOM 0 HE1 MET A 17 7.650 -3.428 3.005 1.00 0.76 H new ATOM 0 HE2 MET A 17 6.988 -2.217 4.130 1.00 0.76 H new ATOM 0 HE3 MET A 17 6.245 -3.831 4.020 1.00 0.76 H new ATOM 269 N VAL A 18 1.275 -0.355 5.608 1.00 0.15 N ATOM 270 CA VAL A 18 -0.023 -0.806 6.195 1.00 0.13 C ATOM 271 C VAL A 18 -0.944 -1.266 5.066 1.00 0.49 C ATOM 272 O VAL A 18 -0.702 -0.991 3.907 1.00 1.02 O ATOM 273 CB VAL A 18 -0.682 0.360 6.939 1.00 0.55 C ATOM 274 CG1 VAL A 18 -1.984 -0.112 7.594 1.00 0.66 C ATOM 275 CG2 VAL A 18 0.269 0.878 8.017 1.00 0.82 C ATOM 0 H VAL A 18 1.274 0.597 5.241 1.00 0.15 H new ATOM 0 HA VAL A 18 0.154 -1.626 6.891 1.00 0.13 H new ATOM 0 HB VAL A 18 -0.904 1.159 6.231 1.00 0.55 H new ATOM 0 HG11 VAL A 18 -2.449 0.721 8.122 1.00 0.66 H new ATOM 0 HG12 VAL A 18 -2.665 -0.480 6.826 1.00 0.66 H new ATOM 0 HG13 VAL A 18 -1.766 -0.913 8.300 1.00 0.66 H new ATOM 0 HG21 VAL A 18 -0.199 1.708 8.547 1.00 0.82 H new ATOM 0 HG22 VAL A 18 0.491 0.077 8.722 1.00 0.82 H new ATOM 0 HG23 VAL A 18 1.194 1.220 7.553 1.00 0.82 H new ATOM 285 N ASP A 19 -2.004 -1.957 5.386 1.00 0.29 N ATOM 286 CA ASP A 19 -2.929 -2.412 4.313 1.00 0.71 C ATOM 287 C ASP A 19 -3.223 -1.236 3.380 1.00 2.06 C ATOM 288 O ASP A 19 -3.453 -1.412 2.200 1.00 3.93 O ATOM 289 CB ASP A 19 -4.232 -2.924 4.929 1.00 0.62 C ATOM 290 CG ASP A 19 -5.164 -1.745 5.210 1.00 2.69 C ATOM 291 OD1 ASP A 19 -4.706 -0.783 5.804 1.00 3.79 O ATOM 292 OD2 ASP A 19 -6.319 -1.825 4.828 1.00 3.57 O ATOM 0 H ASP A 19 -2.267 -2.223 6.335 1.00 0.29 H new ATOM 0 HA ASP A 19 -2.466 -3.223 3.750 1.00 0.71 H new ATOM 0 HB2 ASP A 19 -4.714 -3.628 4.251 1.00 0.62 H new ATOM 0 HB3 ASP A 19 -4.022 -3.463 5.853 1.00 0.62 H new ATOM 297 N GLY A 20 -3.207 -0.032 3.894 1.00 1.39 N ATOM 298 CA GLY A 20 -3.474 1.146 3.019 1.00 2.79 C ATOM 299 C GLY A 20 -4.136 2.278 3.818 1.00 1.37 C ATOM 300 O GLY A 20 -5.329 2.267 4.053 1.00 1.23 O ATOM 0 H GLY A 20 -3.022 0.184 4.874 1.00 1.39 H new ATOM 0 HA2 GLY A 20 -2.540 1.500 2.583 1.00 2.79 H new ATOM 0 HA3 GLY A 20 -4.120 0.852 2.192 1.00 2.79 H new ATOM 304 N CYS A 21 -3.375 3.269 4.215 1.00 1.62 N ATOM 305 CA CYS A 21 -3.965 4.414 4.972 1.00 1.00 C ATOM 306 C CYS A 21 -3.550 5.724 4.303 1.00 1.54 C ATOM 307 O CYS A 21 -4.372 6.567 4.004 1.00 3.66 O ATOM 308 CB CYS A 21 -3.469 4.418 6.423 1.00 1.29 C ATOM 309 SG CYS A 21 -4.694 5.254 7.466 1.00 2.82 S ATOM 0 H CYS A 21 -2.371 3.333 4.047 1.00 1.62 H new ATOM 0 HA CYS A 21 -5.050 4.312 4.970 1.00 1.00 H new ATOM 0 HB2 CYS A 21 -3.314 3.396 6.770 1.00 1.29 H new ATOM 0 HB3 CYS A 21 -2.508 4.927 6.490 1.00 1.29 H new ATOM 314 N HIS A 22 -2.278 5.908 4.066 1.00 0.22 N ATOM 315 CA HIS A 22 -1.822 7.170 3.419 1.00 1.43 C ATOM 316 C HIS A 22 -0.308 7.308 3.546 1.00 1.13 C ATOM 317 O HIS A 22 0.441 6.974 2.649 1.00 0.91 O ATOM 318 CB HIS A 22 -2.495 8.362 4.099 1.00 2.59 C ATOM 319 CG HIS A 22 -3.437 9.022 3.133 1.00 2.90 C ATOM 320 ND1 HIS A 22 -4.483 9.828 3.554 1.00 3.66 N ATOM 321 CD2 HIS A 22 -3.501 9.008 1.763 1.00 3.53 C ATOM 322 CE1 HIS A 22 -5.126 10.262 2.456 1.00 3.96 C ATOM 323 NE2 HIS A 22 -4.569 9.792 1.336 1.00 4.24 N ATOM 0 H HIS A 22 -1.539 5.242 4.292 1.00 0.22 H new ATOM 0 HA HIS A 22 -2.092 7.145 2.363 1.00 1.43 H new ATOM 0 HB2 HIS A 22 -3.038 8.031 4.984 1.00 2.59 H new ATOM 0 HB3 HIS A 22 -1.742 9.075 4.435 1.00 2.59 H new ATOM 0 HD2 HIS A 22 -2.825 8.470 1.114 1.00 3.53 H new ATOM 0 HE1 HIS A 22 -5.988 10.912 2.477 1.00 3.96 H new ATOM 0 HE2 HIS A 22 -4.863 9.969 0.376 1.00 4.24 H new ATOM 331 N GLY A 23 0.139 7.818 4.650 1.00 1.23 N ATOM 332 CA GLY A 23 1.602 8.011 4.859 1.00 1.02 C ATOM 333 C GLY A 23 1.872 9.503 5.067 1.00 0.98 C ATOM 334 O GLY A 23 1.541 10.063 6.093 1.00 1.02 O ATOM 0 H GLY A 23 -0.449 8.115 5.429 1.00 1.23 H new ATOM 0 HA2 GLY A 23 1.939 7.441 5.725 1.00 1.02 H new ATOM 0 HA3 GLY A 23 2.159 7.642 3.998 1.00 1.02 H new ATOM 338 N SER A 24 2.456 10.160 4.101 1.00 0.93 N ATOM 339 CA SER A 24 2.719 11.618 4.260 1.00 0.91 C ATOM 340 C SER A 24 1.443 12.286 4.777 1.00 0.98 C ATOM 341 O SER A 24 1.476 13.141 5.639 1.00 0.96 O ATOM 342 CB SER A 24 3.104 12.221 2.908 1.00 0.90 C ATOM 343 OG SER A 24 2.204 11.756 1.910 1.00 1.44 O ATOM 0 H SER A 24 2.760 9.754 3.216 1.00 0.93 H new ATOM 0 HA SER A 24 3.536 11.777 4.963 1.00 0.91 H new ATOM 0 HB2 SER A 24 3.075 13.309 2.961 1.00 0.90 H new ATOM 0 HB3 SER A 24 4.126 11.942 2.651 1.00 0.90 H new ATOM 0 HG SER A 24 2.448 12.143 1.043 1.00 1.44 H new ATOM 349 N ASP A 25 0.315 11.883 4.256 1.00 1.06 N ATOM 350 CA ASP A 25 -0.982 12.463 4.706 1.00 1.11 C ATOM 351 C ASP A 25 -1.309 11.933 6.106 1.00 0.99 C ATOM 352 O ASP A 25 -0.602 11.090 6.621 1.00 0.92 O ATOM 353 CB ASP A 25 -2.075 12.028 3.727 1.00 1.27 C ATOM 354 CG ASP A 25 -2.437 13.194 2.807 1.00 1.43 C ATOM 355 OD1 ASP A 25 -1.672 13.463 1.897 1.00 1.48 O ATOM 356 OD2 ASP A 25 -3.473 13.799 3.029 1.00 2.21 O ATOM 0 H ASP A 25 0.237 11.170 3.531 1.00 1.06 H new ATOM 0 HA ASP A 25 -0.921 13.551 4.736 1.00 1.11 H new ATOM 0 HB2 ASP A 25 -1.730 11.179 3.136 1.00 1.27 H new ATOM 0 HB3 ASP A 25 -2.957 11.697 4.275 1.00 1.27 H new ATOM 361 N PRO A 26 -2.374 12.432 6.683 1.00 0.98 N ATOM 362 CA PRO A 26 -2.812 12.008 8.022 1.00 0.89 C ATOM 363 C PRO A 26 -3.560 10.671 7.940 1.00 1.03 C ATOM 364 O PRO A 26 -4.402 10.471 7.088 1.00 1.33 O ATOM 365 CB PRO A 26 -3.745 13.136 8.470 1.00 0.87 C ATOM 366 CG PRO A 26 -4.230 13.841 7.180 1.00 1.04 C ATOM 367 CD PRO A 26 -3.234 13.463 6.065 1.00 1.08 C ATOM 0 HA PRO A 26 -1.986 11.849 8.715 1.00 0.89 H new ATOM 0 HB2 PRO A 26 -4.588 12.741 9.037 1.00 0.87 H new ATOM 0 HB3 PRO A 26 -3.223 13.836 9.122 1.00 0.87 H new ATOM 0 HG2 PRO A 26 -5.240 13.522 6.921 1.00 1.04 H new ATOM 0 HG3 PRO A 26 -4.263 14.922 7.319 1.00 1.04 H new ATOM 0 HD2 PRO A 26 -3.749 13.077 5.185 1.00 1.08 H new ATOM 0 HD3 PRO A 26 -2.652 14.326 5.741 1.00 1.08 H new ATOM 375 N CYS A 27 -3.259 9.760 8.825 1.00 0.93 N ATOM 376 CA CYS A 27 -3.950 8.438 8.809 1.00 1.13 C ATOM 377 C CYS A 27 -4.822 8.335 10.066 1.00 0.89 C ATOM 378 O CYS A 27 -4.466 8.825 11.118 1.00 0.90 O ATOM 379 CB CYS A 27 -2.902 7.319 8.792 1.00 1.44 C ATOM 380 SG CYS A 27 -3.691 5.730 9.157 1.00 2.68 S ATOM 0 H CYS A 27 -2.562 9.874 9.561 1.00 0.93 H new ATOM 0 HA CYS A 27 -4.576 8.341 7.922 1.00 1.13 H new ATOM 0 HB2 CYS A 27 -2.416 7.278 7.817 1.00 1.44 H new ATOM 0 HB3 CYS A 27 -2.124 7.526 9.527 1.00 1.44 H new ATOM 385 N ILE A 28 -5.972 7.729 9.960 1.00 0.71 N ATOM 386 CA ILE A 28 -6.871 7.628 11.137 1.00 0.55 C ATOM 387 C ILE A 28 -6.909 6.191 11.651 1.00 0.62 C ATOM 388 O ILE A 28 -7.336 5.283 10.966 1.00 0.76 O ATOM 389 CB ILE A 28 -8.285 8.053 10.733 1.00 0.35 C ATOM 390 CG1 ILE A 28 -8.255 9.486 10.200 1.00 0.41 C ATOM 391 CG2 ILE A 28 -9.207 7.989 11.951 1.00 0.25 C ATOM 392 CD1 ILE A 28 -7.645 10.406 11.257 1.00 0.48 C ATOM 0 H ILE A 28 -6.326 7.299 9.106 1.00 0.71 H new ATOM 0 HA ILE A 28 -6.495 8.280 11.925 1.00 0.55 H new ATOM 0 HB ILE A 28 -8.655 7.381 9.959 1.00 0.35 H new ATOM 0 HG12 ILE A 28 -7.671 9.532 9.281 1.00 0.41 H new ATOM 0 HG13 ILE A 28 -9.264 9.816 9.953 1.00 0.41 H new ATOM 0 HG21 ILE A 28 -10.213 8.292 11.662 1.00 0.25 H new ATOM 0 HG22 ILE A 28 -9.231 6.969 12.336 1.00 0.25 H new ATOM 0 HG23 ILE A 28 -8.834 8.660 12.725 1.00 0.25 H new ATOM 0 HD11 ILE A 28 -7.622 11.428 10.880 1.00 0.48 H new ATOM 0 HD12 ILE A 28 -8.247 10.367 12.165 1.00 0.48 H new ATOM 0 HD13 ILE A 28 -6.630 10.079 11.481 1.00 0.48 H new ATOM 404 N ILE A 29 -6.484 5.990 12.862 1.00 0.55 N ATOM 405 CA ILE A 29 -6.512 4.622 13.448 1.00 0.58 C ATOM 406 C ILE A 29 -7.756 4.504 14.329 1.00 0.53 C ATOM 407 O ILE A 29 -7.915 5.228 15.291 1.00 0.54 O ATOM 408 CB ILE A 29 -5.258 4.397 14.296 1.00 0.65 C ATOM 409 CG1 ILE A 29 -4.069 4.109 13.375 1.00 0.84 C ATOM 410 CG2 ILE A 29 -5.485 3.205 15.229 1.00 0.77 C ATOM 411 CD1 ILE A 29 -2.764 4.427 14.108 1.00 0.40 C ATOM 0 H ILE A 29 -6.116 6.716 13.476 1.00 0.55 H new ATOM 0 HA ILE A 29 -6.538 3.874 12.655 1.00 0.58 H new ATOM 0 HB ILE A 29 -5.050 5.288 14.889 1.00 0.65 H new ATOM 0 HG12 ILE A 29 -4.079 3.064 13.067 1.00 0.84 H new ATOM 0 HG13 ILE A 29 -4.144 4.709 12.468 1.00 0.84 H new ATOM 0 HG21 ILE A 29 -4.593 3.042 15.835 1.00 0.77 H new ATOM 0 HG22 ILE A 29 -6.334 3.410 15.881 1.00 0.77 H new ATOM 0 HG23 ILE A 29 -5.689 2.313 14.637 1.00 0.77 H new ATOM 0 HD11 ILE A 29 -1.919 4.222 13.451 1.00 0.40 H new ATOM 0 HD12 ILE A 29 -2.754 5.479 14.394 1.00 0.40 H new ATOM 0 HD13 ILE A 29 -2.688 3.807 15.002 1.00 0.40 H new ATOM 423 N HIS A 30 -8.646 3.610 14.003 1.00 0.50 N ATOM 424 CA HIS A 30 -9.885 3.469 14.818 1.00 0.48 C ATOM 425 C HIS A 30 -9.709 2.362 15.857 1.00 0.54 C ATOM 426 O HIS A 30 -9.436 1.226 15.528 1.00 0.81 O ATOM 427 CB HIS A 30 -11.057 3.119 13.899 1.00 0.45 C ATOM 428 CG HIS A 30 -11.323 4.268 12.965 1.00 0.39 C ATOM 429 ND1 HIS A 30 -12.132 5.336 13.317 1.00 0.93 N ATOM 430 CD2 HIS A 30 -10.890 4.531 11.689 1.00 0.76 C ATOM 431 CE1 HIS A 30 -12.160 6.187 12.274 1.00 1.11 C ATOM 432 NE2 HIS A 30 -11.419 5.744 11.255 1.00 0.93 N ATOM 0 H HIS A 30 -8.570 2.972 13.210 1.00 0.50 H new ATOM 0 HA HIS A 30 -10.083 4.410 15.331 1.00 0.48 H new ATOM 0 HB2 HIS A 30 -10.829 2.218 13.329 1.00 0.45 H new ATOM 0 HB3 HIS A 30 -11.946 2.905 14.492 1.00 0.45 H new ATOM 0 HD2 HIS A 30 -10.238 3.894 11.110 1.00 0.76 H new ATOM 0 HE1 HIS A 30 -12.714 7.114 12.263 1.00 1.11 H new ATOM 0 HE2 HIS A 30 -11.272 6.197 10.353 1.00 0.93 H new ATOM 440 N ARG A 31 -9.871 2.684 17.114 1.00 0.43 N ATOM 441 CA ARG A 31 -9.719 1.643 18.168 1.00 0.53 C ATOM 442 C ARG A 31 -10.834 0.606 18.025 1.00 0.54 C ATOM 443 O ARG A 31 -11.912 0.900 17.548 1.00 0.66 O ATOM 444 CB ARG A 31 -9.787 2.287 19.546 1.00 0.53 C ATOM 445 CG ARG A 31 -11.098 3.047 19.694 1.00 0.42 C ATOM 446 CD ARG A 31 -10.925 4.089 20.789 1.00 0.47 C ATOM 447 NE ARG A 31 -12.250 4.392 21.402 1.00 0.42 N ATOM 448 CZ ARG A 31 -12.359 5.337 22.299 1.00 0.50 C ATOM 449 NH1 ARG A 31 -11.692 5.257 23.417 1.00 1.61 N ATOM 450 NH2 ARG A 31 -13.136 6.361 22.076 1.00 1.13 N ATOM 0 H ARG A 31 -10.101 3.618 17.453 1.00 0.43 H new ATOM 0 HA ARG A 31 -8.752 1.153 18.053 1.00 0.53 H new ATOM 0 HB2 ARG A 31 -9.709 1.523 20.319 1.00 0.53 H new ATOM 0 HB3 ARG A 31 -8.945 2.965 19.683 1.00 0.53 H new ATOM 0 HG2 ARG A 31 -11.367 3.526 18.753 1.00 0.42 H new ATOM 0 HG3 ARG A 31 -11.908 2.362 19.946 1.00 0.42 H new ATOM 0 HD2 ARG A 31 -10.236 3.722 21.550 1.00 0.47 H new ATOM 0 HD3 ARG A 31 -10.488 4.998 20.375 1.00 0.47 H new ATOM 0 HE ARG A 31 -13.074 3.860 21.121 1.00 0.42 H new ATOM 0 HH11 ARG A 31 -11.085 4.457 23.592 1.00 1.61 H new ATOM 0 HH12 ARG A 31 -11.778 5.995 24.116 1.00 1.61 H new ATOM 0 HH21 ARG A 31 -13.658 6.424 21.202 1.00 1.13 H new ATOM 0 HH22 ARG A 31 -13.221 7.098 22.776 1.00 1.13 H new ATOM 464 N GLY A 32 -10.578 -0.607 18.428 1.00 0.51 N ATOM 465 CA GLY A 32 -11.615 -1.671 18.307 1.00 0.59 C ATOM 466 C GLY A 32 -11.434 -2.389 16.970 1.00 0.56 C ATOM 467 O GLY A 32 -11.933 -3.477 16.762 1.00 0.59 O ATOM 0 H GLY A 32 -9.694 -0.909 18.837 1.00 0.51 H new ATOM 0 HA2 GLY A 32 -11.526 -2.380 19.130 1.00 0.59 H new ATOM 0 HA3 GLY A 32 -12.612 -1.235 18.369 1.00 0.59 H new ATOM 471 N LYS A 33 -10.717 -1.786 16.059 1.00 0.49 N ATOM 472 CA LYS A 33 -10.492 -2.425 14.733 1.00 0.45 C ATOM 473 C LYS A 33 -9.044 -2.912 14.650 1.00 0.38 C ATOM 474 O LYS A 33 -8.161 -2.326 15.242 1.00 0.41 O ATOM 475 CB LYS A 33 -10.753 -1.404 13.626 1.00 0.46 C ATOM 476 CG LYS A 33 -9.428 -1.022 12.963 1.00 0.56 C ATOM 477 CD LYS A 33 -9.644 0.193 12.060 1.00 0.79 C ATOM 478 CE LYS A 33 -11.108 0.245 11.615 1.00 0.64 C ATOM 479 NZ LYS A 33 -11.232 1.125 10.420 1.00 1.26 N ATOM 0 H LYS A 33 -10.276 -0.874 16.179 1.00 0.49 H new ATOM 0 HA LYS A 33 -11.170 -3.270 14.612 1.00 0.45 H new ATOM 0 HB2 LYS A 33 -11.436 -1.821 12.886 1.00 0.46 H new ATOM 0 HB3 LYS A 33 -11.234 -0.518 14.040 1.00 0.46 H new ATOM 0 HG2 LYS A 33 -8.680 -0.796 13.723 1.00 0.56 H new ATOM 0 HG3 LYS A 33 -9.046 -1.859 12.379 1.00 0.56 H new ATOM 0 HD2 LYS A 33 -9.382 1.107 12.593 1.00 0.79 H new ATOM 0 HD3 LYS A 33 -8.990 0.133 11.190 1.00 0.79 H new ATOM 0 HE2 LYS A 33 -11.464 -0.758 11.380 1.00 0.64 H new ATOM 0 HE3 LYS A 33 -11.732 0.623 12.425 1.00 0.64 H new ATOM 0 HZ1 LYS A 33 -12.238 1.298 10.219 1.00 1.26 H new ATOM 0 HZ2 LYS A 33 -10.755 2.031 10.605 1.00 1.26 H new ATOM 0 HZ3 LYS A 33 -10.790 0.662 9.601 1.00 1.26 H new ATOM 493 N PRO A 34 -8.848 -3.977 13.923 1.00 0.30 N ATOM 494 CA PRO A 34 -7.519 -4.585 13.745 1.00 0.21 C ATOM 495 C PRO A 34 -6.686 -3.804 12.722 1.00 0.19 C ATOM 496 O PRO A 34 -7.072 -3.641 11.582 1.00 0.23 O ATOM 497 CB PRO A 34 -7.835 -5.991 13.230 1.00 0.14 C ATOM 498 CG PRO A 34 -9.251 -5.917 12.607 1.00 0.22 C ATOM 499 CD PRO A 34 -9.935 -4.674 13.208 1.00 0.31 C ATOM 0 HA PRO A 34 -6.931 -4.589 14.663 1.00 0.21 H new ATOM 0 HB2 PRO A 34 -7.101 -6.308 12.490 1.00 0.14 H new ATOM 0 HB3 PRO A 34 -7.805 -6.718 14.041 1.00 0.14 H new ATOM 0 HG2 PRO A 34 -9.193 -5.840 11.521 1.00 0.22 H new ATOM 0 HG3 PRO A 34 -9.820 -6.819 12.832 1.00 0.22 H new ATOM 0 HD2 PRO A 34 -10.370 -4.044 12.432 1.00 0.31 H new ATOM 0 HD3 PRO A 34 -10.744 -4.951 13.884 1.00 0.31 H new ATOM 507 N PHE A 35 -5.538 -3.337 13.128 1.00 0.18 N ATOM 508 CA PHE A 35 -4.652 -2.581 12.197 1.00 0.15 C ATOM 509 C PHE A 35 -3.558 -3.528 11.707 1.00 0.24 C ATOM 510 O PHE A 35 -2.839 -4.098 12.491 1.00 0.32 O ATOM 511 CB PHE A 35 -4.016 -1.415 12.952 1.00 0.15 C ATOM 512 CG PHE A 35 -3.733 -0.279 12.003 1.00 0.10 C ATOM 513 CD1 PHE A 35 -4.789 0.466 11.466 1.00 0.19 C ATOM 514 CD2 PHE A 35 -2.412 0.035 11.667 1.00 0.14 C ATOM 515 CE1 PHE A 35 -4.523 1.523 10.590 1.00 0.15 C ATOM 516 CE2 PHE A 35 -2.145 1.094 10.791 1.00 0.19 C ATOM 517 CZ PHE A 35 -3.201 1.839 10.253 1.00 0.11 C ATOM 0 H PHE A 35 -5.172 -3.448 14.074 1.00 0.18 H new ATOM 0 HA PHE A 35 -5.222 -2.196 11.352 1.00 0.15 H new ATOM 0 HB2 PHE A 35 -4.682 -1.079 13.746 1.00 0.15 H new ATOM 0 HB3 PHE A 35 -3.091 -1.741 13.428 1.00 0.15 H new ATOM 0 HD1 PHE A 35 -5.809 0.225 11.728 1.00 0.19 H new ATOM 0 HD2 PHE A 35 -1.598 -0.540 12.083 1.00 0.14 H new ATOM 0 HE1 PHE A 35 -5.338 2.096 10.173 1.00 0.15 H new ATOM 0 HE2 PHE A 35 -1.125 1.336 10.531 1.00 0.19 H new ATOM 0 HZ PHE A 35 -2.996 2.657 9.578 1.00 0.11 H new ATOM 527 N THR A 36 -3.433 -3.718 10.425 1.00 0.26 N ATOM 528 CA THR A 36 -2.390 -4.661 9.922 1.00 0.36 C ATOM 529 C THR A 36 -1.163 -3.896 9.423 1.00 0.28 C ATOM 530 O THR A 36 -1.272 -2.897 8.746 1.00 0.21 O ATOM 531 CB THR A 36 -2.970 -5.495 8.776 1.00 0.48 C ATOM 532 OG1 THR A 36 -4.138 -6.169 9.228 1.00 0.67 O ATOM 533 CG2 THR A 36 -1.933 -6.522 8.311 1.00 0.52 C ATOM 0 H THR A 36 -4.000 -3.267 9.707 1.00 0.26 H new ATOM 0 HA THR A 36 -2.085 -5.313 10.741 1.00 0.36 H new ATOM 0 HB THR A 36 -3.226 -4.840 7.943 1.00 0.48 H new ATOM 0 HG1 THR A 36 -4.512 -6.702 8.496 1.00 0.67 H new ATOM 0 HG21 THR A 36 -2.348 -7.114 7.495 1.00 0.52 H new ATOM 0 HG22 THR A 36 -1.038 -6.005 7.965 1.00 0.52 H new ATOM 0 HG23 THR A 36 -1.674 -7.179 9.141 1.00 0.52 H new ATOM 541 N LEU A 37 0.007 -4.377 9.745 1.00 0.32 N ATOM 542 CA LEU A 37 1.250 -3.697 9.286 1.00 0.25 C ATOM 543 C LEU A 37 2.322 -4.753 9.003 1.00 0.21 C ATOM 544 O LEU A 37 2.610 -5.595 9.830 1.00 0.23 O ATOM 545 CB LEU A 37 1.747 -2.734 10.371 1.00 0.28 C ATOM 546 CG LEU A 37 1.085 -3.075 11.709 1.00 0.41 C ATOM 547 CD1 LEU A 37 1.675 -4.376 12.252 1.00 2.69 C ATOM 548 CD2 LEU A 37 1.341 -1.945 12.710 1.00 2.33 C ATOM 0 H LEU A 37 0.155 -5.214 10.308 1.00 0.32 H new ATOM 0 HA LEU A 37 1.043 -3.131 8.378 1.00 0.25 H new ATOM 0 HB2 LEU A 37 2.831 -2.803 10.463 1.00 0.28 H new ATOM 0 HB3 LEU A 37 1.516 -1.706 10.092 1.00 0.28 H new ATOM 0 HG LEU A 37 0.012 -3.194 11.562 1.00 0.41 H new ATOM 0 HD11 LEU A 37 1.204 -4.619 13.204 1.00 2.69 H new ATOM 0 HD12 LEU A 37 1.494 -5.182 11.541 1.00 2.69 H new ATOM 0 HD13 LEU A 37 2.748 -4.256 12.398 1.00 2.69 H new ATOM 0 HD21 LEU A 37 0.869 -2.189 13.662 1.00 2.33 H new ATOM 0 HD22 LEU A 37 2.414 -1.825 12.857 1.00 2.33 H new ATOM 0 HD23 LEU A 37 0.922 -1.016 12.325 1.00 2.33 H new ATOM 560 N GLU A 38 2.914 -4.712 7.843 1.00 0.16 N ATOM 561 CA GLU A 38 3.969 -5.709 7.502 1.00 0.14 C ATOM 562 C GLU A 38 5.332 -5.021 7.581 1.00 0.09 C ATOM 563 O GLU A 38 5.525 -3.962 7.017 1.00 0.10 O ATOM 564 CB GLU A 38 3.741 -6.220 6.076 1.00 0.15 C ATOM 565 CG GLU A 38 3.258 -7.672 6.117 1.00 0.77 C ATOM 566 CD GLU A 38 3.258 -8.249 4.700 1.00 0.80 C ATOM 567 OE1 GLU A 38 3.221 -7.468 3.763 1.00 1.38 O ATOM 568 OE2 GLU A 38 3.297 -9.462 4.575 1.00 0.29 O ATOM 0 H GLU A 38 2.713 -4.029 7.113 1.00 0.16 H new ATOM 0 HA GLU A 38 3.931 -6.548 8.197 1.00 0.14 H new ATOM 0 HB2 GLU A 38 3.004 -5.596 5.570 1.00 0.15 H new ATOM 0 HB3 GLU A 38 4.665 -6.151 5.503 1.00 0.15 H new ATOM 0 HG2 GLU A 38 3.907 -8.264 6.762 1.00 0.77 H new ATOM 0 HG3 GLU A 38 2.255 -7.721 6.541 1.00 0.77 H new ATOM 575 N ALA A 39 6.279 -5.590 8.277 1.00 0.11 N ATOM 576 CA ALA A 39 7.601 -4.925 8.371 1.00 0.09 C ATOM 577 C ALA A 39 8.711 -5.899 7.994 1.00 0.09 C ATOM 578 O ALA A 39 8.902 -6.920 8.626 1.00 0.10 O ATOM 579 CB ALA A 39 7.830 -4.444 9.802 1.00 0.13 C ATOM 0 H ALA A 39 6.193 -6.475 8.777 1.00 0.11 H new ATOM 0 HA ALA A 39 7.616 -4.078 7.685 1.00 0.09 H new ATOM 0 HB1 ALA A 39 8.802 -3.955 9.870 1.00 0.13 H new ATOM 0 HB2 ALA A 39 7.048 -3.737 10.078 1.00 0.13 H new ATOM 0 HB3 ALA A 39 7.804 -5.296 10.481 1.00 0.13 H new ATOM 585 N LEU A 40 9.473 -5.570 6.993 1.00 0.09 N ATOM 586 CA LEU A 40 10.602 -6.448 6.604 1.00 0.10 C ATOM 587 C LEU A 40 11.813 -5.955 7.378 1.00 0.08 C ATOM 588 O LEU A 40 11.981 -4.771 7.574 1.00 0.08 O ATOM 589 CB LEU A 40 10.857 -6.347 5.100 1.00 0.16 C ATOM 590 CG LEU A 40 9.642 -6.876 4.336 1.00 0.46 C ATOM 591 CD1 LEU A 40 9.405 -6.017 3.092 1.00 0.53 C ATOM 592 CD2 LEU A 40 9.901 -8.322 3.913 1.00 0.59 C ATOM 0 H LEU A 40 9.361 -4.729 6.427 1.00 0.09 H new ATOM 0 HA LEU A 40 10.387 -7.493 6.829 1.00 0.10 H new ATOM 0 HB2 LEU A 40 11.050 -5.311 4.823 1.00 0.16 H new ATOM 0 HB3 LEU A 40 11.745 -6.920 4.832 1.00 0.16 H new ATOM 0 HG LEU A 40 8.762 -6.834 4.978 1.00 0.46 H new ATOM 0 HD11 LEU A 40 8.539 -6.395 2.548 1.00 0.53 H new ATOM 0 HD12 LEU A 40 9.223 -4.985 3.392 1.00 0.53 H new ATOM 0 HD13 LEU A 40 10.284 -6.058 2.448 1.00 0.53 H new ATOM 0 HD21 LEU A 40 9.037 -8.702 3.368 1.00 0.59 H new ATOM 0 HD22 LEU A 40 10.781 -8.361 3.271 1.00 0.59 H new ATOM 0 HD23 LEU A 40 10.070 -8.935 4.798 1.00 0.59 H new ATOM 604 N PHE A 41 12.638 -6.829 7.856 1.00 0.12 N ATOM 605 CA PHE A 41 13.799 -6.355 8.644 1.00 0.13 C ATOM 606 C PHE A 41 14.904 -7.399 8.611 1.00 0.13 C ATOM 607 O PHE A 41 14.665 -8.576 8.781 1.00 0.17 O ATOM 608 CB PHE A 41 13.351 -6.121 10.085 1.00 0.15 C ATOM 609 CG PHE A 41 12.648 -7.350 10.582 1.00 0.13 C ATOM 610 CD1 PHE A 41 13.394 -8.402 11.113 1.00 0.11 C ATOM 611 CD2 PHE A 41 11.254 -7.438 10.509 1.00 0.13 C ATOM 612 CE1 PHE A 41 12.752 -9.551 11.575 1.00 0.10 C ATOM 613 CE2 PHE A 41 10.600 -8.586 10.971 1.00 0.14 C ATOM 614 CZ PHE A 41 11.351 -9.648 11.506 1.00 0.12 C ATOM 0 H PHE A 41 12.563 -7.840 7.739 1.00 0.12 H new ATOM 0 HA PHE A 41 14.180 -5.426 8.220 1.00 0.13 H new ATOM 0 HB2 PHE A 41 14.212 -5.898 10.716 1.00 0.15 H new ATOM 0 HB3 PHE A 41 12.686 -5.259 10.138 1.00 0.15 H new ATOM 0 HD1 PHE A 41 14.470 -8.327 11.167 1.00 0.11 H new ATOM 0 HD2 PHE A 41 10.682 -6.620 10.096 1.00 0.13 H new ATOM 0 HE1 PHE A 41 13.331 -10.365 11.985 1.00 0.10 H new ATOM 0 HE2 PHE A 41 9.524 -8.656 10.917 1.00 0.14 H new ATOM 0 HZ PHE A 41 10.852 -10.537 11.863 1.00 0.12 H new ATOM 624 N ASP A 42 16.116 -6.978 8.409 1.00 0.11 N ATOM 625 CA ASP A 42 17.229 -7.958 8.384 1.00 0.11 C ATOM 626 C ASP A 42 17.657 -8.232 9.815 1.00 0.12 C ATOM 627 O ASP A 42 18.178 -7.375 10.501 1.00 0.13 O ATOM 628 CB ASP A 42 18.410 -7.396 7.588 1.00 0.11 C ATOM 629 CG ASP A 42 18.333 -7.897 6.147 1.00 0.68 C ATOM 630 OD1 ASP A 42 17.656 -7.263 5.355 1.00 1.00 O ATOM 631 OD2 ASP A 42 18.952 -8.909 5.859 1.00 1.17 O ATOM 0 H ASP A 42 16.383 -6.005 8.261 1.00 0.11 H new ATOM 0 HA ASP A 42 16.899 -8.880 7.906 1.00 0.11 H new ATOM 0 HB2 ASP A 42 18.391 -6.306 7.608 1.00 0.11 H new ATOM 0 HB3 ASP A 42 19.351 -7.706 8.043 1.00 0.11 H new ATOM 636 N ALA A 43 17.430 -9.424 10.272 1.00 0.15 N ATOM 637 CA ALA A 43 17.807 -9.771 11.657 1.00 0.19 C ATOM 638 C ALA A 43 19.228 -9.264 11.920 1.00 0.14 C ATOM 639 O ALA A 43 20.180 -9.747 11.343 1.00 0.12 O ATOM 640 CB ALA A 43 17.762 -11.287 11.793 1.00 0.25 C ATOM 0 H ALA A 43 16.996 -10.178 9.739 1.00 0.15 H new ATOM 0 HA ALA A 43 17.125 -9.315 12.375 1.00 0.19 H new ATOM 0 HB1 ALA A 43 18.037 -11.569 12.809 1.00 0.25 H new ATOM 0 HB2 ALA A 43 16.754 -11.642 11.578 1.00 0.25 H new ATOM 0 HB3 ALA A 43 18.463 -11.736 11.089 1.00 0.25 H new ATOM 646 N ASN A 44 19.381 -8.291 12.776 1.00 0.16 N ATOM 647 CA ASN A 44 20.744 -7.762 13.058 1.00 0.15 C ATOM 648 C ASN A 44 21.412 -8.622 14.133 1.00 0.22 C ATOM 649 O ASN A 44 22.449 -8.277 14.665 1.00 0.26 O ATOM 650 CB ASN A 44 20.643 -6.315 13.546 1.00 0.31 C ATOM 651 CG ASN A 44 20.511 -6.299 15.070 1.00 0.51 C ATOM 652 OD1 ASN A 44 21.496 -6.377 15.777 1.00 0.89 O ATOM 653 ND2 ASN A 44 19.328 -6.204 15.609 1.00 0.33 N ATOM 0 H ASN A 44 18.624 -7.841 13.290 1.00 0.16 H new ATOM 0 HA ASN A 44 21.341 -7.793 12.146 1.00 0.15 H new ATOM 0 HB2 ASN A 44 21.527 -5.755 13.241 1.00 0.31 H new ATOM 0 HB3 ASN A 44 19.782 -5.826 13.091 1.00 0.31 H new ATOM 0 HD21 ASN A 44 19.229 -6.195 16.624 1.00 0.33 H new ATOM 0 HD22 ASN A 44 18.501 -6.138 15.016 1.00 0.33 H new ATOM 660 N GLN A 45 20.825 -9.743 14.449 1.00 0.28 N ATOM 661 CA GLN A 45 21.418 -10.638 15.479 1.00 0.40 C ATOM 662 C GLN A 45 20.707 -11.988 15.432 1.00 0.41 C ATOM 663 O GLN A 45 19.524 -12.066 15.164 1.00 0.60 O ATOM 664 CB GLN A 45 21.253 -10.025 16.860 1.00 0.48 C ATOM 665 CG GLN A 45 19.813 -10.220 17.322 1.00 0.46 C ATOM 666 CD GLN A 45 19.324 -8.948 18.015 1.00 0.50 C ATOM 667 OE1 GLN A 45 19.806 -7.867 17.738 1.00 0.74 O ATOM 668 NE2 GLN A 45 18.381 -9.028 18.914 1.00 0.43 N ATOM 0 H GLN A 45 19.955 -10.078 14.035 1.00 0.28 H new ATOM 0 HA GLN A 45 22.481 -10.770 15.276 1.00 0.40 H new ATOM 0 HB2 GLN A 45 21.941 -10.493 17.564 1.00 0.48 H new ATOM 0 HB3 GLN A 45 21.499 -8.963 16.832 1.00 0.48 H new ATOM 0 HG2 GLN A 45 19.174 -10.451 16.469 1.00 0.46 H new ATOM 0 HG3 GLN A 45 19.751 -11.067 18.006 1.00 0.46 H new ATOM 0 HE21 GLN A 45 17.975 -9.934 19.148 1.00 0.43 H new ATOM 0 HE22 GLN A 45 18.050 -8.185 19.382 1.00 0.43 H new ATOM 677 N ASN A 46 21.414 -13.055 15.680 1.00 0.28 N ATOM 678 CA ASN A 46 20.766 -14.392 15.636 1.00 0.30 C ATOM 679 C ASN A 46 20.100 -14.678 16.985 1.00 0.22 C ATOM 680 O ASN A 46 20.742 -14.719 18.015 1.00 0.16 O ATOM 681 CB ASN A 46 21.814 -15.466 15.322 1.00 0.37 C ATOM 682 CG ASN A 46 22.465 -15.954 16.618 1.00 0.38 C ATOM 683 OD1 ASN A 46 22.020 -16.918 17.209 1.00 0.77 O ATOM 684 ND2 ASN A 46 23.508 -15.325 17.085 1.00 0.45 N ATOM 0 H ASN A 46 22.408 -13.058 15.910 1.00 0.28 H new ATOM 0 HA ASN A 46 20.007 -14.406 14.854 1.00 0.30 H new ATOM 0 HB2 ASN A 46 21.346 -16.302 14.803 1.00 0.37 H new ATOM 0 HB3 ASN A 46 22.574 -15.061 14.654 1.00 0.37 H new ATOM 0 HD21 ASN A 46 23.951 -15.642 17.947 1.00 0.45 H new ATOM 0 HD22 ASN A 46 23.881 -14.516 16.588 1.00 0.45 H new ATOM 691 N THR A 47 18.810 -14.865 16.984 1.00 0.28 N ATOM 692 CA THR A 47 18.095 -15.141 18.257 1.00 0.25 C ATOM 693 C THR A 47 17.077 -16.257 18.031 1.00 0.25 C ATOM 694 O THR A 47 16.670 -16.525 16.919 1.00 0.25 O ATOM 695 CB THR A 47 17.376 -13.871 18.724 1.00 0.27 C ATOM 696 OG1 THR A 47 16.534 -14.185 19.822 1.00 0.29 O ATOM 697 CG2 THR A 47 16.536 -13.305 17.578 1.00 0.33 C ATOM 0 H THR A 47 18.220 -14.838 16.153 1.00 0.28 H new ATOM 0 HA THR A 47 18.809 -15.451 19.020 1.00 0.25 H new ATOM 0 HB THR A 47 18.112 -13.128 19.030 1.00 0.27 H new ATOM 0 HG1 THR A 47 15.625 -13.866 19.639 1.00 0.29 H new ATOM 0 HG21 THR A 47 16.026 -12.402 17.913 1.00 0.33 H new ATOM 0 HG22 THR A 47 17.185 -13.064 16.736 1.00 0.33 H new ATOM 0 HG23 THR A 47 15.798 -14.045 17.268 1.00 0.33 H new ATOM 705 N LYS A 48 16.660 -16.900 19.084 1.00 0.25 N ATOM 706 CA LYS A 48 15.657 -17.996 18.960 1.00 0.26 C ATOM 707 C LYS A 48 14.316 -17.417 19.343 1.00 0.38 C ATOM 708 O LYS A 48 13.271 -17.849 18.899 1.00 0.43 O ATOM 709 CB LYS A 48 15.985 -19.117 19.945 1.00 0.25 C ATOM 710 CG LYS A 48 17.206 -19.902 19.472 1.00 0.35 C ATOM 711 CD LYS A 48 18.355 -18.954 19.124 1.00 3.05 C ATOM 712 CE LYS A 48 18.705 -18.095 20.344 1.00 5.32 C ATOM 713 NZ LYS A 48 19.970 -18.591 20.960 1.00 6.83 N ATOM 0 H LYS A 48 16.974 -16.712 20.036 1.00 0.25 H new ATOM 0 HA LYS A 48 15.658 -18.394 17.945 1.00 0.26 H new ATOM 0 HB2 LYS A 48 16.175 -18.697 20.933 1.00 0.25 H new ATOM 0 HB3 LYS A 48 15.130 -19.786 20.042 1.00 0.25 H new ATOM 0 HG2 LYS A 48 17.523 -20.596 20.251 1.00 0.35 H new ATOM 0 HG3 LYS A 48 16.944 -20.501 18.599 1.00 0.35 H new ATOM 0 HD2 LYS A 48 19.227 -19.526 18.808 1.00 3.05 H new ATOM 0 HD3 LYS A 48 18.072 -18.316 18.287 1.00 3.05 H new ATOM 0 HE2 LYS A 48 18.818 -17.052 20.047 1.00 5.32 H new ATOM 0 HE3 LYS A 48 17.895 -18.133 21.072 1.00 5.32 H new ATOM 0 HZ1 LYS A 48 20.206 -18.007 21.788 1.00 6.83 H new ATOM 0 HZ2 LYS A 48 19.847 -19.580 21.258 1.00 6.83 H new ATOM 0 HZ3 LYS A 48 20.741 -18.533 20.264 1.00 6.83 H new ATOM 727 N THR A 49 14.359 -16.438 20.184 1.00 0.63 N ATOM 728 CA THR A 49 13.116 -15.793 20.649 1.00 0.86 C ATOM 729 C THR A 49 13.041 -14.385 20.100 1.00 0.57 C ATOM 730 O THR A 49 14.011 -13.658 20.053 1.00 0.32 O ATOM 731 CB THR A 49 13.103 -15.761 22.167 1.00 1.18 C ATOM 732 OG1 THR A 49 14.311 -15.186 22.645 1.00 1.19 O ATOM 733 CG2 THR A 49 12.974 -17.190 22.664 1.00 1.67 C ATOM 0 H THR A 49 15.217 -16.050 20.576 1.00 0.63 H new ATOM 0 HA THR A 49 12.254 -16.359 20.295 1.00 0.86 H new ATOM 0 HB THR A 49 12.269 -15.160 22.529 1.00 1.18 H new ATOM 0 HG1 THR A 49 14.335 -15.241 23.623 1.00 1.19 H new ATOM 0 HG21 THR A 49 12.962 -17.196 23.754 1.00 1.67 H new ATOM 0 HG22 THR A 49 12.047 -17.624 22.288 1.00 1.67 H new ATOM 0 HG23 THR A 49 13.820 -17.777 22.307 1.00 1.67 H new ATOM 741 N ALA A 50 11.887 -14.004 19.685 1.00 0.74 N ATOM 742 CA ALA A 50 11.711 -12.647 19.127 1.00 0.53 C ATOM 743 C ALA A 50 10.354 -12.111 19.557 1.00 0.51 C ATOM 744 O ALA A 50 9.439 -12.863 19.817 1.00 0.68 O ATOM 745 CB ALA A 50 11.800 -12.715 17.606 1.00 0.67 C ATOM 0 H ALA A 50 11.043 -14.577 19.706 1.00 0.74 H new ATOM 0 HA ALA A 50 12.491 -11.981 19.495 1.00 0.53 H new ATOM 0 HB1 ALA A 50 11.671 -11.716 17.189 1.00 0.67 H new ATOM 0 HB2 ALA A 50 12.775 -13.106 17.316 1.00 0.67 H new ATOM 0 HB3 ALA A 50 11.018 -13.371 17.225 1.00 0.67 H new ATOM 751 N LYS A 51 10.215 -10.823 19.656 1.00 0.32 N ATOM 752 CA LYS A 51 8.911 -10.261 20.093 1.00 0.29 C ATOM 753 C LYS A 51 8.607 -8.976 19.333 1.00 0.29 C ATOM 754 O LYS A 51 9.472 -8.153 19.120 1.00 0.28 O ATOM 755 CB LYS A 51 8.986 -9.924 21.581 1.00 0.23 C ATOM 756 CG LYS A 51 8.610 -11.144 22.415 1.00 0.28 C ATOM 757 CD LYS A 51 7.979 -10.677 23.728 1.00 0.43 C ATOM 758 CE LYS A 51 8.580 -9.324 24.136 1.00 0.30 C ATOM 759 NZ LYS A 51 8.308 -9.082 25.581 1.00 0.29 N ATOM 0 H LYS A 51 10.943 -10.137 19.455 1.00 0.32 H new ATOM 0 HA LYS A 51 8.131 -10.997 19.899 1.00 0.29 H new ATOM 0 HB2 LYS A 51 9.993 -9.595 21.837 1.00 0.23 H new ATOM 0 HB3 LYS A 51 8.313 -9.097 21.809 1.00 0.23 H new ATOM 0 HG2 LYS A 51 7.911 -11.775 21.865 1.00 0.28 H new ATOM 0 HG3 LYS A 51 9.494 -11.749 22.617 1.00 0.28 H new ATOM 0 HD2 LYS A 51 6.899 -10.586 23.612 1.00 0.43 H new ATOM 0 HD3 LYS A 51 8.155 -11.415 24.510 1.00 0.43 H new ATOM 0 HE2 LYS A 51 9.654 -9.319 23.950 1.00 0.30 H new ATOM 0 HE3 LYS A 51 8.148 -8.525 23.534 1.00 0.30 H new ATOM 0 HZ1 LYS A 51 8.713 -8.166 25.862 1.00 0.29 H new ATOM 0 HZ2 LYS A 51 7.281 -9.070 25.744 1.00 0.29 H new ATOM 0 HZ3 LYS A 51 8.740 -9.840 26.147 1.00 0.29 H new ATOM 773 N ILE A 52 7.377 -8.768 18.965 1.00 0.30 N ATOM 774 CA ILE A 52 7.037 -7.503 18.270 1.00 0.31 C ATOM 775 C ILE A 52 6.554 -6.523 19.330 1.00 0.26 C ATOM 776 O ILE A 52 6.024 -6.915 20.350 1.00 0.23 O ATOM 777 CB ILE A 52 5.938 -7.728 17.233 1.00 0.32 C ATOM 778 CG1 ILE A 52 5.534 -6.377 16.635 1.00 0.32 C ATOM 779 CG2 ILE A 52 4.726 -8.374 17.901 1.00 0.25 C ATOM 780 CD1 ILE A 52 4.700 -6.602 15.378 1.00 0.53 C ATOM 0 H ILE A 52 6.600 -9.412 19.114 1.00 0.30 H new ATOM 0 HA ILE A 52 7.910 -7.117 17.744 1.00 0.31 H new ATOM 0 HB ILE A 52 6.305 -8.386 16.445 1.00 0.32 H new ATOM 0 HG12 ILE A 52 4.963 -5.801 17.364 1.00 0.32 H new ATOM 0 HG13 ILE A 52 6.423 -5.794 16.394 1.00 0.32 H new ATOM 0 HG21 ILE A 52 3.944 -8.533 17.159 1.00 0.25 H new ATOM 0 HG22 ILE A 52 5.016 -9.331 18.334 1.00 0.25 H new ATOM 0 HG23 ILE A 52 4.352 -7.719 18.688 1.00 0.25 H new ATOM 0 HD11 ILE A 52 4.414 -5.639 14.954 1.00 0.53 H new ATOM 0 HD12 ILE A 52 5.286 -7.160 14.648 1.00 0.53 H new ATOM 0 HD13 ILE A 52 3.804 -7.167 15.633 1.00 0.53 H new ATOM 792 N GLU A 53 6.750 -5.259 19.121 1.00 0.28 N ATOM 793 CA GLU A 53 6.317 -4.278 20.151 1.00 0.26 C ATOM 794 C GLU A 53 5.712 -3.049 19.484 1.00 0.25 C ATOM 795 O GLU A 53 6.381 -2.310 18.793 1.00 0.27 O ATOM 796 CB GLU A 53 7.537 -3.853 20.972 1.00 0.26 C ATOM 797 CG GLU A 53 7.366 -4.302 22.424 1.00 0.29 C ATOM 798 CD GLU A 53 8.526 -3.765 23.263 1.00 0.30 C ATOM 799 OE1 GLU A 53 9.663 -4.011 22.894 1.00 0.90 O ATOM 800 OE2 GLU A 53 8.259 -3.118 24.262 1.00 1.18 O ATOM 0 H GLU A 53 7.187 -4.861 18.290 1.00 0.28 H new ATOM 0 HA GLU A 53 5.568 -4.738 20.795 1.00 0.26 H new ATOM 0 HB2 GLU A 53 8.441 -4.292 20.550 1.00 0.26 H new ATOM 0 HB3 GLU A 53 7.657 -2.771 20.928 1.00 0.26 H new ATOM 0 HG2 GLU A 53 6.418 -3.938 22.819 1.00 0.29 H new ATOM 0 HG3 GLU A 53 7.337 -5.390 22.478 1.00 0.29 H new ATOM 807 N ILE A 54 4.458 -2.802 19.710 1.00 0.22 N ATOM 808 CA ILE A 54 3.835 -1.601 19.110 1.00 0.20 C ATOM 809 C ILE A 54 3.473 -0.632 20.231 1.00 0.18 C ATOM 810 O ILE A 54 2.624 -0.911 21.054 1.00 0.14 O ATOM 811 CB ILE A 54 2.568 -1.987 18.359 1.00 0.16 C ATOM 812 CG1 ILE A 54 2.830 -3.232 17.513 1.00 0.21 C ATOM 813 CG2 ILE A 54 2.157 -0.830 17.460 1.00 0.14 C ATOM 814 CD1 ILE A 54 2.704 -4.465 18.399 1.00 0.30 C ATOM 0 H ILE A 54 3.840 -3.378 20.282 1.00 0.22 H new ATOM 0 HA ILE A 54 4.534 -1.138 18.413 1.00 0.20 H new ATOM 0 HB ILE A 54 1.769 -2.204 19.068 1.00 0.16 H new ATOM 0 HG12 ILE A 54 2.118 -3.285 16.689 1.00 0.21 H new ATOM 0 HG13 ILE A 54 3.825 -3.185 17.071 1.00 0.21 H new ATOM 0 HG21 ILE A 54 1.250 -1.096 16.917 1.00 0.14 H new ATOM 0 HG22 ILE A 54 1.970 0.055 18.068 1.00 0.14 H new ATOM 0 HG23 ILE A 54 2.957 -0.619 16.750 1.00 0.14 H new ATOM 0 HD11 ILE A 54 2.889 -5.360 17.805 1.00 0.30 H new ATOM 0 HD12 ILE A 54 3.433 -4.408 19.207 1.00 0.30 H new ATOM 0 HD13 ILE A 54 1.699 -4.510 18.819 1.00 0.30 H new ATOM 826 N LYS A 55 4.105 0.504 20.276 1.00 0.25 N ATOM 827 CA LYS A 55 3.787 1.476 21.352 1.00 0.27 C ATOM 828 C LYS A 55 3.182 2.730 20.734 1.00 0.27 C ATOM 829 O LYS A 55 3.699 3.283 19.787 1.00 0.27 O ATOM 830 CB LYS A 55 5.064 1.829 22.106 1.00 0.31 C ATOM 831 CG LYS A 55 5.445 0.647 22.991 1.00 0.32 C ATOM 832 CD LYS A 55 6.514 1.077 23.998 1.00 0.36 C ATOM 833 CE LYS A 55 7.870 0.515 23.570 1.00 0.61 C ATOM 834 NZ LYS A 55 8.748 0.372 24.764 1.00 0.60 N ATOM 0 H LYS A 55 4.825 0.800 19.617 1.00 0.25 H new ATOM 0 HA LYS A 55 3.071 1.038 22.048 1.00 0.27 H new ATOM 0 HB2 LYS A 55 5.868 2.052 21.405 1.00 0.31 H new ATOM 0 HB3 LYS A 55 4.912 2.722 22.712 1.00 0.31 H new ATOM 0 HG2 LYS A 55 4.565 0.276 23.517 1.00 0.32 H new ATOM 0 HG3 LYS A 55 5.819 -0.173 22.378 1.00 0.32 H new ATOM 0 HD2 LYS A 55 6.560 2.165 24.054 1.00 0.36 H new ATOM 0 HD3 LYS A 55 6.257 0.717 24.994 1.00 0.36 H new ATOM 0 HE2 LYS A 55 7.738 -0.452 23.085 1.00 0.61 H new ATOM 0 HE3 LYS A 55 8.336 1.177 22.840 1.00 0.61 H new ATOM 0 HZ1 LYS A 55 9.670 -0.010 24.473 1.00 0.60 H new ATOM 0 HZ2 LYS A 55 8.884 1.302 25.209 1.00 0.60 H new ATOM 0 HZ3 LYS A 55 8.304 -0.276 25.446 1.00 0.60 H new ATOM 848 N ALA A 56 2.080 3.177 21.254 1.00 0.27 N ATOM 849 CA ALA A 56 1.433 4.387 20.676 1.00 0.27 C ATOM 850 C ALA A 56 1.598 5.583 21.614 1.00 0.29 C ATOM 851 O ALA A 56 1.283 5.519 22.786 1.00 0.22 O ATOM 852 CB ALA A 56 -0.054 4.111 20.462 1.00 0.25 C ATOM 0 H ALA A 56 1.598 2.761 22.051 1.00 0.27 H new ATOM 0 HA ALA A 56 1.909 4.620 19.724 1.00 0.27 H new ATOM 0 HB1 ALA A 56 -0.531 4.995 20.039 1.00 0.25 H new ATOM 0 HB2 ALA A 56 -0.173 3.271 19.777 1.00 0.25 H new ATOM 0 HB3 ALA A 56 -0.520 3.869 21.417 1.00 0.25 H new ATOM 858 N SER A 57 2.077 6.678 21.094 1.00 0.39 N ATOM 859 CA SER A 57 2.255 7.897 21.930 1.00 0.42 C ATOM 860 C SER A 57 1.046 8.809 21.723 1.00 0.44 C ATOM 861 O SER A 57 0.431 8.807 20.673 1.00 0.49 O ATOM 862 CB SER A 57 3.529 8.630 21.511 1.00 0.50 C ATOM 863 OG SER A 57 3.663 9.818 22.282 1.00 1.59 O ATOM 0 H SER A 57 2.355 6.781 20.118 1.00 0.39 H new ATOM 0 HA SER A 57 2.338 7.618 22.981 1.00 0.42 H new ATOM 0 HB2 SER A 57 4.397 7.987 21.658 1.00 0.50 H new ATOM 0 HB3 SER A 57 3.489 8.874 20.449 1.00 0.50 H new ATOM 0 HG SER A 57 4.480 10.290 22.017 1.00 1.59 H new ATOM 869 N LEU A 58 0.691 9.581 22.708 1.00 0.43 N ATOM 870 CA LEU A 58 -0.487 10.479 22.559 1.00 0.47 C ATOM 871 C LEU A 58 -0.022 11.926 22.386 1.00 0.56 C ATOM 872 O LEU A 58 -0.629 12.847 22.894 1.00 0.60 O ATOM 873 CB LEU A 58 -1.361 10.370 23.807 1.00 0.44 C ATOM 874 CG LEU A 58 -1.693 8.898 24.074 1.00 0.36 C ATOM 875 CD1 LEU A 58 -2.697 8.799 25.224 1.00 0.37 C ATOM 876 CD2 LEU A 58 -2.301 8.278 22.813 1.00 0.34 C ATOM 0 H LEU A 58 1.164 9.630 23.610 1.00 0.43 H new ATOM 0 HA LEU A 58 -1.059 10.182 21.680 1.00 0.47 H new ATOM 0 HB2 LEU A 58 -0.843 10.798 24.665 1.00 0.44 H new ATOM 0 HB3 LEU A 58 -2.279 10.942 23.672 1.00 0.44 H new ATOM 0 HG LEU A 58 -0.782 8.363 24.342 1.00 0.36 H new ATOM 0 HD11 LEU A 58 -2.932 7.751 25.413 1.00 0.37 H new ATOM 0 HD12 LEU A 58 -2.266 9.242 26.122 1.00 0.37 H new ATOM 0 HD13 LEU A 58 -3.609 9.333 24.958 1.00 0.37 H new ATOM 0 HD21 LEU A 58 -2.538 7.231 23.000 1.00 0.34 H new ATOM 0 HD22 LEU A 58 -3.212 8.814 22.547 1.00 0.34 H new ATOM 0 HD23 LEU A 58 -1.586 8.347 21.993 1.00 0.34 H new ATOM 888 N ASP A 59 1.047 12.133 21.668 1.00 0.71 N ATOM 889 CA ASP A 59 1.546 13.522 21.463 1.00 0.79 C ATOM 890 C ASP A 59 1.939 14.127 22.813 1.00 0.96 C ATOM 891 O ASP A 59 2.163 15.316 22.930 1.00 1.31 O ATOM 892 CB ASP A 59 0.440 14.367 20.825 1.00 0.74 C ATOM 893 CG ASP A 59 1.012 15.169 19.653 1.00 1.07 C ATOM 894 OD1 ASP A 59 2.134 14.891 19.263 1.00 1.69 O ATOM 895 OD2 ASP A 59 0.317 16.047 19.168 1.00 0.90 O ATOM 0 H ASP A 59 1.596 11.402 21.215 1.00 0.71 H new ATOM 0 HA ASP A 59 2.417 13.506 20.807 1.00 0.79 H new ATOM 0 HB2 ASP A 59 -0.368 13.723 20.477 1.00 0.74 H new ATOM 0 HB3 ASP A 59 0.012 15.043 21.566 1.00 0.74 H new ATOM 900 N GLY A 60 2.023 13.319 23.835 1.00 0.74 N ATOM 901 CA GLY A 60 2.398 13.845 25.178 1.00 0.88 C ATOM 902 C GLY A 60 2.489 12.686 26.172 1.00 0.82 C ATOM 903 O GLY A 60 3.417 12.599 26.955 1.00 0.75 O ATOM 0 H GLY A 60 1.848 12.315 23.797 1.00 0.74 H new ATOM 0 HA2 GLY A 60 3.354 14.366 25.122 1.00 0.88 H new ATOM 0 HA3 GLY A 60 1.658 14.571 25.516 1.00 0.88 H new ATOM 907 N LEU A 61 1.539 11.790 26.146 1.00 0.84 N ATOM 908 CA LEU A 61 1.576 10.634 27.086 1.00 0.77 C ATOM 909 C LEU A 61 1.921 9.365 26.302 1.00 0.73 C ATOM 910 O LEU A 61 1.143 8.887 25.501 1.00 0.70 O ATOM 911 CB LEU A 61 0.204 10.471 27.748 1.00 0.74 C ATOM 912 CG LEU A 61 0.169 11.269 29.054 1.00 2.49 C ATOM 913 CD1 LEU A 61 -0.847 12.405 28.933 1.00 4.03 C ATOM 914 CD2 LEU A 61 -0.239 10.343 30.201 1.00 2.67 C ATOM 0 H LEU A 61 0.739 11.809 25.514 1.00 0.84 H new ATOM 0 HA LEU A 61 2.328 10.807 27.855 1.00 0.77 H new ATOM 0 HB2 LEU A 61 -0.580 10.819 27.075 1.00 0.74 H new ATOM 0 HB3 LEU A 61 0.008 9.418 27.948 1.00 0.74 H new ATOM 0 HG LEU A 61 1.156 11.686 29.252 1.00 2.49 H new ATOM 0 HD11 LEU A 61 -0.871 12.972 29.863 1.00 4.03 H new ATOM 0 HD12 LEU A 61 -0.560 13.064 28.113 1.00 4.03 H new ATOM 0 HD13 LEU A 61 -1.835 11.990 28.736 1.00 4.03 H new ATOM 0 HD21 LEU A 61 -0.265 10.908 31.133 1.00 2.67 H new ATOM 0 HD22 LEU A 61 -1.227 9.929 30.000 1.00 2.67 H new ATOM 0 HD23 LEU A 61 0.484 9.532 30.288 1.00 2.67 H new ATOM 926 N GLU A 62 3.082 8.815 26.521 1.00 0.74 N ATOM 927 CA GLU A 62 3.472 7.586 25.776 1.00 0.70 C ATOM 928 C GLU A 62 2.813 6.360 26.415 1.00 0.66 C ATOM 929 O GLU A 62 2.820 6.193 27.619 1.00 0.66 O ATOM 930 CB GLU A 62 4.991 7.431 25.816 1.00 0.72 C ATOM 931 CG GLU A 62 5.352 5.949 25.765 1.00 0.84 C ATOM 932 CD GLU A 62 6.845 5.800 25.474 1.00 0.82 C ATOM 933 OE1 GLU A 62 7.449 6.781 25.073 1.00 1.28 O ATOM 934 OE2 GLU A 62 7.360 4.710 25.657 1.00 2.04 O ATOM 0 H GLU A 62 3.777 9.162 27.182 1.00 0.74 H new ATOM 0 HA GLU A 62 3.140 7.670 24.741 1.00 0.70 H new ATOM 0 HB2 GLU A 62 5.443 7.956 24.974 1.00 0.72 H new ATOM 0 HB3 GLU A 62 5.390 7.882 26.724 1.00 0.72 H new ATOM 0 HG2 GLU A 62 5.105 5.471 26.713 1.00 0.84 H new ATOM 0 HG3 GLU A 62 4.768 5.447 24.993 1.00 0.84 H new ATOM 941 N ILE A 63 2.233 5.504 25.617 1.00 0.62 N ATOM 942 CA ILE A 63 1.570 4.304 26.163 1.00 0.58 C ATOM 943 C ILE A 63 2.165 3.056 25.516 1.00 0.59 C ATOM 944 O ILE A 63 2.839 3.114 24.509 1.00 0.61 O ATOM 945 CB ILE A 63 0.093 4.363 25.800 1.00 0.62 C ATOM 946 CG1 ILE A 63 -0.594 5.512 26.542 1.00 0.67 C ATOM 947 CG2 ILE A 63 -0.574 3.049 26.149 1.00 0.55 C ATOM 948 CD1 ILE A 63 -1.981 5.749 25.936 1.00 0.80 C ATOM 0 H ILE A 63 2.194 5.593 24.602 1.00 0.62 H new ATOM 0 HA ILE A 63 1.707 4.268 27.244 1.00 0.58 H new ATOM 0 HB ILE A 63 0.002 4.538 24.728 1.00 0.62 H new ATOM 0 HG12 ILE A 63 -0.684 5.274 27.602 1.00 0.67 H new ATOM 0 HG13 ILE A 63 0.007 6.418 26.469 1.00 0.67 H new ATOM 0 HG21 ILE A 63 -1.631 3.097 25.887 1.00 0.55 H new ATOM 0 HG22 ILE A 63 -0.099 2.241 25.593 1.00 0.55 H new ATOM 0 HG23 ILE A 63 -0.473 2.862 27.218 1.00 0.55 H new ATOM 0 HD11 ILE A 63 -2.473 6.567 26.462 1.00 0.80 H new ATOM 0 HD12 ILE A 63 -1.878 6.006 24.882 1.00 0.80 H new ATOM 0 HD13 ILE A 63 -2.580 4.843 26.032 1.00 0.80 H new ATOM 960 N ASP A 64 1.868 1.927 26.074 1.00 0.58 N ATOM 961 CA ASP A 64 2.345 0.637 25.503 1.00 0.58 C ATOM 962 C ASP A 64 1.106 -0.124 25.040 1.00 0.59 C ATOM 963 O ASP A 64 0.250 -0.460 25.832 1.00 1.03 O ATOM 964 CB ASP A 64 3.091 -0.170 26.572 1.00 0.61 C ATOM 965 CG ASP A 64 4.210 0.683 27.176 1.00 0.56 C ATOM 966 OD1 ASP A 64 4.627 1.627 26.524 1.00 0.37 O ATOM 967 OD2 ASP A 64 4.628 0.378 28.280 1.00 0.71 O ATOM 0 H ASP A 64 1.304 1.836 26.919 1.00 0.58 H new ATOM 0 HA ASP A 64 3.033 0.806 24.675 1.00 0.58 H new ATOM 0 HB2 ASP A 64 2.399 -0.485 27.353 1.00 0.61 H new ATOM 0 HB3 ASP A 64 3.508 -1.076 26.132 1.00 0.61 H new ATOM 972 N VAL A 65 0.973 -0.354 23.766 1.00 0.22 N ATOM 973 CA VAL A 65 -0.247 -1.045 23.263 1.00 0.21 C ATOM 974 C VAL A 65 -0.120 -2.571 23.387 1.00 0.19 C ATOM 975 O VAL A 65 0.700 -3.178 22.726 1.00 0.26 O ATOM 976 CB VAL A 65 -0.445 -0.676 21.800 1.00 0.14 C ATOM 977 CG1 VAL A 65 -1.893 -0.957 21.386 1.00 0.34 C ATOM 978 CG2 VAL A 65 -0.140 0.814 21.612 1.00 0.18 C ATOM 0 H VAL A 65 1.653 -0.095 23.052 1.00 0.22 H new ATOM 0 HA VAL A 65 -1.100 -0.728 23.863 1.00 0.21 H new ATOM 0 HB VAL A 65 0.226 -1.271 21.181 1.00 0.14 H new ATOM 0 HG11 VAL A 65 -2.030 -0.691 20.338 1.00 0.34 H new ATOM 0 HG12 VAL A 65 -2.112 -2.016 21.523 1.00 0.34 H new ATOM 0 HG13 VAL A 65 -2.569 -0.364 22.002 1.00 0.34 H new ATOM 0 HG21 VAL A 65 -0.280 1.085 20.566 1.00 0.18 H new ATOM 0 HG22 VAL A 65 -0.814 1.404 22.233 1.00 0.18 H new ATOM 0 HG23 VAL A 65 0.891 1.014 21.904 1.00 0.18 H new ATOM 988 N PRO A 66 -0.962 -3.145 24.215 1.00 0.12 N ATOM 989 CA PRO A 66 -1.004 -4.600 24.439 1.00 0.13 C ATOM 990 C PRO A 66 -1.884 -5.255 23.364 1.00 0.18 C ATOM 991 O PRO A 66 -2.086 -4.706 22.300 1.00 0.22 O ATOM 992 CB PRO A 66 -1.666 -4.722 25.815 1.00 0.19 C ATOM 993 CG PRO A 66 -2.477 -3.421 26.028 1.00 0.19 C ATOM 994 CD PRO A 66 -1.942 -2.391 25.016 1.00 0.14 C ATOM 0 HA PRO A 66 -0.027 -5.082 24.393 1.00 0.13 H new ATOM 0 HB2 PRO A 66 -2.316 -5.596 25.857 1.00 0.19 H new ATOM 0 HB3 PRO A 66 -0.916 -4.845 26.597 1.00 0.19 H new ATOM 0 HG2 PRO A 66 -3.541 -3.599 25.872 1.00 0.19 H new ATOM 0 HG3 PRO A 66 -2.361 -3.056 27.049 1.00 0.19 H new ATOM 0 HD2 PRO A 66 -2.743 -1.992 24.393 1.00 0.14 H new ATOM 0 HD3 PRO A 66 -1.477 -1.543 25.519 1.00 0.14 H new ATOM 1002 N GLY A 67 -2.424 -6.413 23.641 1.00 0.25 N ATOM 1003 CA GLY A 67 -3.307 -7.085 22.642 1.00 0.34 C ATOM 1004 C GLY A 67 -2.547 -7.322 21.338 1.00 0.35 C ATOM 1005 O GLY A 67 -3.102 -7.241 20.260 1.00 0.72 O ATOM 0 H GLY A 67 -2.292 -6.922 24.515 1.00 0.25 H new ATOM 0 HA2 GLY A 67 -3.663 -8.035 23.041 1.00 0.34 H new ATOM 0 HA3 GLY A 67 -4.186 -6.470 22.452 1.00 0.34 H new ATOM 1009 N ILE A 68 -1.285 -7.623 21.424 1.00 0.19 N ATOM 1010 CA ILE A 68 -0.495 -7.874 20.190 1.00 0.17 C ATOM 1011 C ILE A 68 0.204 -9.223 20.319 1.00 0.14 C ATOM 1012 O ILE A 68 -0.215 -10.084 21.068 1.00 0.30 O ATOM 1013 CB ILE A 68 0.557 -6.782 20.028 1.00 0.17 C ATOM 1014 CG1 ILE A 68 1.540 -6.888 21.192 1.00 0.19 C ATOM 1015 CG2 ILE A 68 -0.118 -5.409 20.037 1.00 0.16 C ATOM 1016 CD1 ILE A 68 2.557 -5.751 21.130 1.00 0.28 C ATOM 0 H ILE A 68 -0.765 -7.706 22.297 1.00 0.19 H new ATOM 0 HA ILE A 68 -1.156 -7.874 19.323 1.00 0.17 H new ATOM 0 HB ILE A 68 1.084 -6.903 19.082 1.00 0.17 H new ATOM 0 HG12 ILE A 68 1.000 -6.851 22.138 1.00 0.19 H new ATOM 0 HG13 ILE A 68 2.055 -7.848 21.156 1.00 0.19 H new ATOM 0 HG21 ILE A 68 0.637 -4.632 19.921 1.00 0.16 H new ATOM 0 HG22 ILE A 68 -0.830 -5.348 19.214 1.00 0.16 H new ATOM 0 HG23 ILE A 68 -0.642 -5.267 20.982 1.00 0.16 H new ATOM 0 HD11 ILE A 68 3.252 -5.838 21.965 1.00 0.28 H new ATOM 0 HD12 ILE A 68 3.109 -5.807 20.192 1.00 0.28 H new ATOM 0 HD13 ILE A 68 2.037 -4.795 21.189 1.00 0.28 H new ATOM 1028 N ASP A 69 1.268 -9.417 19.596 1.00 0.15 N ATOM 1029 CA ASP A 69 1.991 -10.711 19.683 1.00 0.21 C ATOM 1030 C ASP A 69 3.315 -10.505 20.408 1.00 0.24 C ATOM 1031 O ASP A 69 4.241 -9.928 19.876 1.00 0.24 O ATOM 1032 CB ASP A 69 2.269 -11.252 18.276 1.00 0.27 C ATOM 1033 CG ASP A 69 2.728 -12.708 18.382 1.00 0.38 C ATOM 1034 OD1 ASP A 69 3.368 -13.035 19.368 1.00 0.77 O ATOM 1035 OD2 ASP A 69 2.431 -13.470 17.478 1.00 1.41 O ATOM 0 H ASP A 69 1.667 -8.736 18.950 1.00 0.15 H new ATOM 0 HA ASP A 69 1.375 -11.425 20.230 1.00 0.21 H new ATOM 0 HB2 ASP A 69 1.370 -11.185 17.663 1.00 0.27 H new ATOM 0 HB3 ASP A 69 3.035 -10.651 17.786 1.00 0.27 H new ATOM 1040 N THR A 70 3.426 -10.994 21.610 1.00 0.26 N ATOM 1041 CA THR A 70 4.708 -10.848 22.351 1.00 0.30 C ATOM 1042 C THR A 70 5.591 -12.040 21.987 1.00 0.37 C ATOM 1043 O THR A 70 6.175 -12.692 22.830 1.00 0.42 O ATOM 1044 CB THR A 70 4.432 -10.827 23.854 1.00 0.34 C ATOM 1045 OG1 THR A 70 3.369 -11.722 24.148 1.00 0.37 O ATOM 1046 CG2 THR A 70 4.041 -9.408 24.276 1.00 0.29 C ATOM 0 H THR A 70 2.687 -11.487 22.110 1.00 0.26 H new ATOM 0 HA THR A 70 5.208 -9.917 22.085 1.00 0.30 H new ATOM 0 HB THR A 70 5.325 -11.134 24.398 1.00 0.34 H new ATOM 0 HG1 THR A 70 3.190 -11.712 25.112 1.00 0.37 H new ATOM 0 HG21 THR A 70 3.843 -9.389 25.348 1.00 0.29 H new ATOM 0 HG22 THR A 70 4.856 -8.722 24.045 1.00 0.29 H new ATOM 0 HG23 THR A 70 3.145 -9.102 23.736 1.00 0.29 H new ATOM 1054 N ASN A 71 5.663 -12.323 20.719 1.00 0.39 N ATOM 1055 CA ASN A 71 6.466 -13.461 20.215 1.00 0.44 C ATOM 1056 C ASN A 71 6.214 -13.542 18.710 1.00 0.51 C ATOM 1057 O ASN A 71 5.357 -14.267 18.247 1.00 0.60 O ATOM 1058 CB ASN A 71 6.015 -14.752 20.899 1.00 0.52 C ATOM 1059 CG ASN A 71 6.691 -15.949 20.227 1.00 0.54 C ATOM 1060 OD1 ASN A 71 7.896 -16.088 20.282 1.00 1.39 O ATOM 1061 ND2 ASN A 71 5.962 -16.824 19.590 1.00 1.12 N ATOM 0 H ASN A 71 5.182 -11.794 19.991 1.00 0.39 H new ATOM 0 HA ASN A 71 7.527 -13.324 20.424 1.00 0.44 H new ATOM 0 HB2 ASN A 71 6.271 -14.724 21.958 1.00 0.52 H new ATOM 0 HB3 ASN A 71 4.931 -14.850 20.836 1.00 0.52 H new ATOM 0 HD21 ASN A 71 6.404 -17.624 19.138 1.00 1.12 H new ATOM 0 HD22 ASN A 71 4.950 -16.707 19.544 1.00 1.12 H new ATOM 1068 N ALA A 72 6.929 -12.757 17.949 1.00 0.47 N ATOM 1069 CA ALA A 72 6.713 -12.728 16.472 1.00 0.54 C ATOM 1070 C ALA A 72 7.099 -14.056 15.814 1.00 0.67 C ATOM 1071 O ALA A 72 7.010 -14.193 14.618 1.00 0.65 O ATOM 1072 CB ALA A 72 7.537 -11.595 15.868 1.00 0.51 C ATOM 0 H ALA A 72 7.658 -12.130 18.289 1.00 0.47 H new ATOM 0 HA ALA A 72 5.651 -12.565 16.286 1.00 0.54 H new ATOM 0 HB1 ALA A 72 7.384 -11.569 14.789 1.00 0.51 H new ATOM 0 HB2 ALA A 72 7.224 -10.646 16.302 1.00 0.51 H new ATOM 0 HB3 ALA A 72 8.593 -11.760 16.080 1.00 0.51 H new ATOM 1078 N CYS A 73 7.520 -15.030 16.567 1.00 0.80 N ATOM 1079 CA CYS A 73 7.889 -16.342 15.964 1.00 0.96 C ATOM 1080 C CYS A 73 6.661 -16.962 15.285 1.00 0.87 C ATOM 1081 O CYS A 73 6.769 -17.913 14.536 1.00 0.93 O ATOM 1082 CB CYS A 73 8.361 -17.288 17.070 1.00 1.22 C ATOM 1083 SG CYS A 73 10.079 -16.931 17.494 1.00 2.37 S ATOM 0 H CYS A 73 7.626 -14.975 17.580 1.00 0.80 H new ATOM 0 HA CYS A 73 8.681 -16.190 15.231 1.00 0.96 H new ATOM 0 HB2 CYS A 73 7.729 -17.175 17.951 1.00 1.22 H new ATOM 0 HB3 CYS A 73 8.266 -18.323 16.740 1.00 1.22 H new ATOM 1088 N HIS A 74 5.491 -16.444 15.555 1.00 0.76 N ATOM 1089 CA HIS A 74 4.256 -17.020 14.941 1.00 0.73 C ATOM 1090 C HIS A 74 4.070 -16.477 13.521 1.00 0.66 C ATOM 1091 O HIS A 74 3.288 -16.989 12.746 1.00 0.83 O ATOM 1092 CB HIS A 74 3.042 -16.633 15.791 1.00 0.72 C ATOM 1093 CG HIS A 74 2.777 -17.706 16.812 1.00 0.71 C ATOM 1094 ND1 HIS A 74 1.496 -18.151 17.102 1.00 0.66 N ATOM 1095 CD2 HIS A 74 3.616 -18.427 17.625 1.00 0.85 C ATOM 1096 CE1 HIS A 74 1.601 -19.097 18.053 1.00 0.69 C ATOM 1097 NE2 HIS A 74 2.872 -19.304 18.407 1.00 0.86 N ATOM 0 H HIS A 74 5.337 -15.648 16.173 1.00 0.76 H new ATOM 0 HA HIS A 74 4.352 -18.105 14.899 1.00 0.73 H new ATOM 0 HB2 HIS A 74 3.223 -15.680 16.289 1.00 0.72 H new ATOM 0 HB3 HIS A 74 2.168 -16.499 15.154 1.00 0.72 H new ATOM 0 HD2 HIS A 74 4.691 -18.328 17.653 1.00 0.85 H new ATOM 0 HE1 HIS A 74 0.760 -19.625 18.478 1.00 0.69 H new ATOM 0 HE2 HIS A 74 3.222 -19.964 19.102 1.00 0.86 H new ATOM 1105 N PHE A 75 4.774 -15.439 13.184 1.00 0.50 N ATOM 1106 CA PHE A 75 4.640 -14.846 11.826 1.00 0.46 C ATOM 1107 C PHE A 75 6.005 -14.833 11.130 1.00 0.48 C ATOM 1108 O PHE A 75 6.101 -14.670 9.931 1.00 0.56 O ATOM 1109 CB PHE A 75 4.114 -13.420 11.969 1.00 0.53 C ATOM 1110 CG PHE A 75 2.976 -13.415 12.957 1.00 0.62 C ATOM 1111 CD1 PHE A 75 1.825 -14.171 12.700 1.00 0.97 C ATOM 1112 CD2 PHE A 75 3.071 -12.663 14.133 1.00 0.53 C ATOM 1113 CE1 PHE A 75 0.770 -14.173 13.619 1.00 1.11 C ATOM 1114 CE2 PHE A 75 2.017 -12.665 15.052 1.00 0.63 C ATOM 1115 CZ PHE A 75 0.866 -13.420 14.796 1.00 0.89 C ATOM 0 H PHE A 75 5.443 -14.970 13.795 1.00 0.50 H new ATOM 0 HA PHE A 75 3.948 -15.437 11.226 1.00 0.46 H new ATOM 0 HB2 PHE A 75 4.910 -12.757 12.308 1.00 0.53 H new ATOM 0 HB3 PHE A 75 3.776 -13.044 11.003 1.00 0.53 H new ATOM 0 HD1 PHE A 75 1.752 -14.752 11.793 1.00 0.97 H new ATOM 0 HD2 PHE A 75 3.959 -12.081 14.331 1.00 0.53 H new ATOM 0 HE1 PHE A 75 -0.118 -14.755 13.421 1.00 1.11 H new ATOM 0 HE2 PHE A 75 2.091 -12.084 15.959 1.00 0.63 H new ATOM 0 HZ PHE A 75 0.052 -13.422 15.506 1.00 0.89 H new ATOM 1125 N VAL A 76 7.058 -15.021 11.876 1.00 0.56 N ATOM 1126 CA VAL A 76 8.416 -15.040 11.270 1.00 0.57 C ATOM 1127 C VAL A 76 9.071 -16.383 11.598 1.00 0.58 C ATOM 1128 O VAL A 76 8.561 -17.156 12.383 1.00 0.56 O ATOM 1129 CB VAL A 76 9.260 -13.880 11.807 1.00 0.57 C ATOM 1130 CG1 VAL A 76 8.430 -12.603 11.811 1.00 0.34 C ATOM 1131 CG2 VAL A 76 9.749 -14.200 13.221 1.00 0.75 C ATOM 0 H VAL A 76 7.034 -15.163 12.886 1.00 0.56 H new ATOM 0 HA VAL A 76 8.343 -14.920 10.189 1.00 0.57 H new ATOM 0 HB VAL A 76 10.128 -13.737 11.163 1.00 0.57 H new ATOM 0 HG11 VAL A 76 9.032 -11.779 12.193 1.00 0.34 H new ATOM 0 HG12 VAL A 76 8.107 -12.376 10.795 1.00 0.34 H new ATOM 0 HG13 VAL A 76 7.556 -12.739 12.447 1.00 0.34 H new ATOM 0 HG21 VAL A 76 10.348 -13.370 13.595 1.00 0.75 H new ATOM 0 HG22 VAL A 76 8.892 -14.353 13.877 1.00 0.75 H new ATOM 0 HG23 VAL A 76 10.356 -15.105 13.200 1.00 0.75 H new ATOM 1141 N LYS A 77 10.172 -16.682 10.978 1.00 0.63 N ATOM 1142 CA LYS A 77 10.832 -18.000 11.227 1.00 0.62 C ATOM 1143 C LYS A 77 12.020 -17.882 12.192 1.00 0.52 C ATOM 1144 O LYS A 77 13.152 -17.761 11.777 1.00 0.45 O ATOM 1145 CB LYS A 77 11.333 -18.605 9.905 1.00 0.62 C ATOM 1146 CG LYS A 77 11.682 -17.522 8.868 1.00 0.61 C ATOM 1147 CD LYS A 77 10.693 -17.592 7.703 1.00 0.52 C ATOM 1148 CE LYS A 77 9.264 -17.464 8.231 1.00 1.81 C ATOM 1149 NZ LYS A 77 8.310 -17.503 7.086 1.00 1.53 N ATOM 0 H LYS A 77 10.648 -16.076 10.309 1.00 0.63 H new ATOM 0 HA LYS A 77 10.080 -18.645 11.681 1.00 0.62 H new ATOM 0 HB2 LYS A 77 12.213 -19.218 10.098 1.00 0.62 H new ATOM 0 HB3 LYS A 77 10.568 -19.265 9.496 1.00 0.62 H new ATOM 0 HG2 LYS A 77 11.646 -16.536 9.331 1.00 0.61 H new ATOM 0 HG3 LYS A 77 12.699 -17.666 8.504 1.00 0.61 H new ATOM 0 HD2 LYS A 77 10.900 -16.794 6.989 1.00 0.52 H new ATOM 0 HD3 LYS A 77 10.811 -18.535 7.170 1.00 0.52 H new ATOM 0 HE2 LYS A 77 9.047 -18.274 8.927 1.00 1.81 H new ATOM 0 HE3 LYS A 77 9.150 -16.531 8.782 1.00 1.81 H new ATOM 0 HZ1 LYS A 77 7.337 -17.416 7.442 1.00 1.53 H new ATOM 0 HZ2 LYS A 77 8.513 -16.715 6.438 1.00 1.53 H new ATOM 0 HZ3 LYS A 77 8.414 -18.405 6.578 1.00 1.53 H new ATOM 1163 N CYS A 78 11.791 -17.971 13.477 1.00 0.58 N ATOM 1164 CA CYS A 78 12.944 -17.911 14.426 1.00 0.50 C ATOM 1165 C CYS A 78 13.484 -19.336 14.603 1.00 0.56 C ATOM 1166 O CYS A 78 12.780 -20.286 14.324 1.00 0.65 O ATOM 1167 CB CYS A 78 12.508 -17.339 15.776 1.00 0.66 C ATOM 1168 SG CYS A 78 11.124 -18.292 16.433 1.00 0.88 S ATOM 0 H CYS A 78 10.872 -18.081 13.905 1.00 0.58 H new ATOM 0 HA CYS A 78 13.719 -17.257 14.027 1.00 0.50 H new ATOM 0 HB2 CYS A 78 13.342 -17.364 16.477 1.00 0.66 H new ATOM 0 HB3 CYS A 78 12.219 -16.294 15.661 1.00 0.66 H new ATOM 1173 N PRO A 79 14.728 -19.459 15.008 1.00 0.52 N ATOM 1174 CA PRO A 79 15.612 -18.324 15.355 1.00 0.43 C ATOM 1175 C PRO A 79 15.928 -17.435 14.166 1.00 0.36 C ATOM 1176 O PRO A 79 16.433 -17.874 13.152 1.00 0.38 O ATOM 1177 CB PRO A 79 16.887 -18.996 15.878 1.00 0.37 C ATOM 1178 CG PRO A 79 16.864 -20.438 15.349 1.00 0.35 C ATOM 1179 CD PRO A 79 15.385 -20.777 15.097 1.00 0.54 C ATOM 0 HA PRO A 79 15.139 -17.661 16.079 1.00 0.43 H new ATOM 0 HB2 PRO A 79 17.775 -18.469 15.530 1.00 0.37 H new ATOM 0 HB3 PRO A 79 16.915 -18.982 16.968 1.00 0.37 H new ATOM 0 HG2 PRO A 79 17.446 -20.526 14.431 1.00 0.35 H new ATOM 0 HG3 PRO A 79 17.304 -21.125 16.072 1.00 0.35 H new ATOM 0 HD2 PRO A 79 15.257 -21.350 14.178 1.00 0.54 H new ATOM 0 HD3 PRO A 79 14.969 -21.377 15.907 1.00 0.54 H new ATOM 1187 N LEU A 80 15.661 -16.167 14.304 1.00 0.29 N ATOM 1188 CA LEU A 80 15.976 -15.228 13.210 1.00 0.29 C ATOM 1189 C LEU A 80 17.484 -15.112 13.163 1.00 0.26 C ATOM 1190 O LEU A 80 18.116 -14.705 14.111 1.00 0.23 O ATOM 1191 CB LEU A 80 15.358 -13.871 13.498 1.00 0.31 C ATOM 1192 CG LEU A 80 13.879 -14.059 13.821 1.00 0.43 C ATOM 1193 CD1 LEU A 80 13.359 -12.829 14.565 1.00 0.31 C ATOM 1194 CD2 LEU A 80 13.109 -14.247 12.512 1.00 0.61 C ATOM 0 H LEU A 80 15.238 -15.746 15.131 1.00 0.29 H new ATOM 0 HA LEU A 80 15.578 -15.581 12.259 1.00 0.29 H new ATOM 0 HB2 LEU A 80 15.869 -13.394 14.335 1.00 0.31 H new ATOM 0 HB3 LEU A 80 15.475 -13.213 12.637 1.00 0.31 H new ATOM 0 HG LEU A 80 13.742 -14.936 14.453 1.00 0.43 H new ATOM 0 HD11 LEU A 80 12.302 -12.963 14.796 1.00 0.31 H new ATOM 0 HD12 LEU A 80 13.919 -12.700 15.491 1.00 0.31 H new ATOM 0 HD13 LEU A 80 13.484 -11.945 13.939 1.00 0.31 H new ATOM 0 HD21 LEU A 80 12.050 -14.383 12.729 1.00 0.61 H new ATOM 0 HD22 LEU A 80 13.241 -13.367 11.883 1.00 0.61 H new ATOM 0 HD23 LEU A 80 13.488 -15.126 11.990 1.00 0.61 H new ATOM 1206 N VAL A 81 18.068 -15.512 12.090 1.00 0.28 N ATOM 1207 CA VAL A 81 19.549 -15.480 12.006 1.00 0.28 C ATOM 1208 C VAL A 81 20.042 -14.094 11.602 1.00 0.36 C ATOM 1209 O VAL A 81 19.471 -13.432 10.759 1.00 0.51 O ATOM 1210 CB VAL A 81 20.010 -16.525 11.000 1.00 0.34 C ATOM 1211 CG1 VAL A 81 21.539 -16.569 10.981 1.00 0.28 C ATOM 1212 CG2 VAL A 81 19.455 -17.892 11.422 1.00 0.56 C ATOM 0 H VAL A 81 17.590 -15.863 11.260 1.00 0.28 H new ATOM 0 HA VAL A 81 19.969 -15.706 12.986 1.00 0.28 H new ATOM 0 HB VAL A 81 19.648 -16.273 10.003 1.00 0.34 H new ATOM 0 HG11 VAL A 81 21.873 -17.317 10.261 1.00 0.28 H new ATOM 0 HG12 VAL A 81 21.928 -15.592 10.695 1.00 0.28 H new ATOM 0 HG13 VAL A 81 21.908 -16.830 11.973 1.00 0.28 H new ATOM 0 HG21 VAL A 81 19.778 -18.651 10.710 1.00 0.56 H new ATOM 0 HG22 VAL A 81 19.827 -18.145 12.415 1.00 0.56 H new ATOM 0 HG23 VAL A 81 18.366 -17.852 11.442 1.00 0.56 H new ATOM 1222 N LYS A 82 21.112 -13.656 12.211 1.00 0.26 N ATOM 1223 CA LYS A 82 21.676 -12.327 11.897 1.00 0.33 C ATOM 1224 C LYS A 82 22.206 -12.323 10.475 1.00 0.34 C ATOM 1225 O LYS A 82 23.215 -12.924 10.170 1.00 0.46 O ATOM 1226 CB LYS A 82 22.810 -12.039 12.874 1.00 0.39 C ATOM 1227 CG LYS A 82 23.496 -10.746 12.473 1.00 0.15 C ATOM 1228 CD LYS A 82 24.508 -10.355 13.549 1.00 0.84 C ATOM 1229 CE LYS A 82 25.162 -11.618 14.114 1.00 0.17 C ATOM 1230 NZ LYS A 82 26.488 -11.275 14.701 1.00 0.25 N ATOM 0 H LYS A 82 21.622 -14.178 12.924 1.00 0.26 H new ATOM 0 HA LYS A 82 20.906 -11.561 11.987 1.00 0.33 H new ATOM 0 HB2 LYS A 82 22.420 -11.959 13.889 1.00 0.39 H new ATOM 0 HB3 LYS A 82 23.526 -12.861 12.872 1.00 0.39 H new ATOM 0 HG2 LYS A 82 23.998 -10.870 11.513 1.00 0.15 H new ATOM 0 HG3 LYS A 82 22.758 -9.954 12.347 1.00 0.15 H new ATOM 0 HD2 LYS A 82 25.267 -9.696 13.128 1.00 0.84 H new ATOM 0 HD3 LYS A 82 24.012 -9.801 14.346 1.00 0.84 H new ATOM 0 HE2 LYS A 82 24.520 -12.063 14.875 1.00 0.17 H new ATOM 0 HE3 LYS A 82 25.283 -12.361 13.325 1.00 0.17 H new ATOM 0 HZ1 LYS A 82 26.931 -12.134 15.084 1.00 0.25 H new ATOM 0 HZ2 LYS A 82 27.100 -10.870 13.964 1.00 0.25 H new ATOM 0 HZ3 LYS A 82 26.360 -10.581 15.465 1.00 0.25 H new ATOM 1244 N GLY A 83 21.529 -11.639 9.604 1.00 0.33 N ATOM 1245 CA GLY A 83 21.987 -11.586 8.200 1.00 0.32 C ATOM 1246 C GLY A 83 20.837 -11.975 7.273 1.00 0.29 C ATOM 1247 O GLY A 83 20.842 -11.667 6.098 1.00 0.36 O ATOM 0 H GLY A 83 20.678 -11.115 9.806 1.00 0.33 H new ATOM 0 HA2 GLY A 83 22.339 -10.583 7.959 1.00 0.32 H new ATOM 0 HA3 GLY A 83 22.829 -12.263 8.055 1.00 0.32 H new ATOM 1251 N GLN A 84 19.837 -12.633 7.795 1.00 0.23 N ATOM 1252 CA GLN A 84 18.679 -13.020 6.944 1.00 0.22 C ATOM 1253 C GLN A 84 17.585 -11.991 7.154 1.00 0.23 C ATOM 1254 O GLN A 84 17.485 -11.394 8.203 1.00 0.31 O ATOM 1255 CB GLN A 84 18.167 -14.410 7.352 1.00 0.20 C ATOM 1256 CG GLN A 84 16.666 -14.545 7.044 1.00 0.32 C ATOM 1257 CD GLN A 84 16.457 -14.572 5.528 1.00 0.45 C ATOM 1258 OE1 GLN A 84 17.346 -14.230 4.774 1.00 0.43 O ATOM 1259 NE2 GLN A 84 15.310 -14.968 5.048 1.00 0.61 N ATOM 0 H GLN A 84 19.773 -12.918 8.772 1.00 0.23 H new ATOM 0 HA GLN A 84 18.976 -13.056 5.896 1.00 0.22 H new ATOM 0 HB2 GLN A 84 18.724 -15.180 6.818 1.00 0.20 H new ATOM 0 HB3 GLN A 84 18.341 -14.570 8.416 1.00 0.20 H new ATOM 0 HG2 GLN A 84 16.272 -15.457 7.492 1.00 0.32 H new ATOM 0 HG3 GLN A 84 16.117 -13.712 7.483 1.00 0.32 H new ATOM 0 HE21 GLN A 84 14.564 -15.255 5.681 1.00 0.61 H new ATOM 0 HE22 GLN A 84 15.160 -14.990 4.039 1.00 0.61 H new ATOM 1268 N GLN A 85 16.754 -11.782 6.185 1.00 0.17 N ATOM 1269 CA GLN A 85 15.670 -10.793 6.371 1.00 0.17 C ATOM 1270 C GLN A 85 14.361 -11.544 6.583 1.00 0.17 C ATOM 1271 O GLN A 85 14.131 -12.589 6.004 1.00 0.19 O ATOM 1272 CB GLN A 85 15.571 -9.889 5.146 1.00 0.18 C ATOM 1273 CG GLN A 85 14.107 -9.733 4.768 1.00 0.19 C ATOM 1274 CD GLN A 85 13.977 -8.769 3.586 1.00 0.21 C ATOM 1275 OE1 GLN A 85 13.282 -7.776 3.670 1.00 0.28 O ATOM 1276 NE2 GLN A 85 14.623 -9.020 2.481 1.00 0.26 N ATOM 0 H GLN A 85 16.776 -12.248 5.278 1.00 0.17 H new ATOM 0 HA GLN A 85 15.880 -10.168 7.239 1.00 0.17 H new ATOM 0 HB2 GLN A 85 16.011 -8.915 5.359 1.00 0.18 H new ATOM 0 HB3 GLN A 85 16.132 -10.317 4.315 1.00 0.18 H new ATOM 0 HG2 GLN A 85 13.684 -10.703 4.506 1.00 0.19 H new ATOM 0 HG3 GLN A 85 13.540 -9.357 5.620 1.00 0.19 H new ATOM 0 HE21 GLN A 85 15.207 -9.853 2.410 1.00 0.26 H new ATOM 0 HE22 GLN A 85 14.544 -8.383 1.688 1.00 0.26 H new ATOM 1285 N TYR A 86 13.508 -11.035 7.421 1.00 0.21 N ATOM 1286 CA TYR A 86 12.227 -11.735 7.683 1.00 0.21 C ATOM 1287 C TYR A 86 11.063 -10.819 7.331 1.00 0.14 C ATOM 1288 O TYR A 86 11.153 -9.612 7.440 1.00 0.13 O ATOM 1289 CB TYR A 86 12.153 -12.110 9.163 1.00 0.26 C ATOM 1290 CG TYR A 86 13.140 -13.203 9.446 1.00 0.38 C ATOM 1291 CD1 TYR A 86 14.510 -12.934 9.411 1.00 0.35 C ATOM 1292 CD2 TYR A 86 12.684 -14.488 9.735 1.00 0.56 C ATOM 1293 CE1 TYR A 86 15.427 -13.956 9.670 1.00 0.48 C ATOM 1294 CE2 TYR A 86 13.598 -15.510 9.991 1.00 0.67 C ATOM 1295 CZ TYR A 86 14.969 -15.247 9.959 1.00 0.63 C ATOM 1296 OH TYR A 86 15.868 -16.261 10.209 1.00 0.76 O ATOM 0 H TYR A 86 13.643 -10.165 7.936 1.00 0.21 H new ATOM 0 HA TYR A 86 12.172 -12.637 7.073 1.00 0.21 H new ATOM 0 HB2 TYR A 86 12.369 -11.239 9.782 1.00 0.26 H new ATOM 0 HB3 TYR A 86 11.145 -12.439 9.417 1.00 0.26 H new ATOM 0 HD1 TYR A 86 14.860 -11.938 9.184 1.00 0.35 H new ATOM 0 HD2 TYR A 86 11.624 -14.692 9.761 1.00 0.56 H new ATOM 0 HE1 TYR A 86 16.487 -13.750 9.647 1.00 0.48 H new ATOM 0 HE2 TYR A 86 13.245 -16.506 10.214 1.00 0.67 H new ATOM 0 HH TYR A 86 15.381 -17.092 10.393 1.00 0.76 H new ATOM 1306 N ASP A 87 9.966 -11.384 6.925 1.00 0.15 N ATOM 1307 CA ASP A 87 8.788 -10.550 6.583 1.00 0.15 C ATOM 1308 C ASP A 87 7.642 -10.957 7.501 1.00 0.18 C ATOM 1309 O ASP A 87 7.107 -12.043 7.400 1.00 0.22 O ATOM 1310 CB ASP A 87 8.393 -10.793 5.123 1.00 0.20 C ATOM 1311 CG ASP A 87 8.130 -12.284 4.906 1.00 0.20 C ATOM 1312 OD1 ASP A 87 9.083 -13.046 4.956 1.00 0.62 O ATOM 1313 OD2 ASP A 87 6.983 -12.640 4.695 1.00 0.43 O ATOM 0 H ASP A 87 9.834 -12.389 6.815 1.00 0.15 H new ATOM 0 HA ASP A 87 9.019 -9.493 6.711 1.00 0.15 H new ATOM 0 HB2 ASP A 87 7.502 -10.216 4.876 1.00 0.20 H new ATOM 0 HB3 ASP A 87 9.188 -10.453 4.459 1.00 0.20 H new ATOM 1318 N ILE A 88 7.278 -10.106 8.414 1.00 0.17 N ATOM 1319 CA ILE A 88 6.187 -10.459 9.356 1.00 0.20 C ATOM 1320 C ILE A 88 4.901 -9.710 9.039 1.00 0.15 C ATOM 1321 O ILE A 88 4.834 -8.497 9.084 1.00 0.11 O ATOM 1322 CB ILE A 88 6.587 -10.107 10.782 1.00 0.24 C ATOM 1323 CG1 ILE A 88 5.384 -10.342 11.690 1.00 0.31 C ATOM 1324 CG2 ILE A 88 6.997 -8.633 10.880 1.00 0.26 C ATOM 1325 CD1 ILE A 88 5.862 -10.531 13.123 1.00 0.36 C ATOM 0 H ILE A 88 7.689 -9.182 8.548 1.00 0.17 H new ATOM 0 HA ILE A 88 6.017 -11.531 9.252 1.00 0.20 H new ATOM 0 HB ILE A 88 7.432 -10.728 11.081 1.00 0.24 H new ATOM 0 HG12 ILE A 88 4.700 -9.496 11.632 1.00 0.31 H new ATOM 0 HG13 ILE A 88 4.832 -11.222 11.360 1.00 0.31 H new ATOM 0 HG21 ILE A 88 7.279 -8.401 11.907 1.00 0.26 H new ATOM 0 HG22 ILE A 88 7.844 -8.446 10.220 1.00 0.26 H new ATOM 0 HG23 ILE A 88 6.159 -8.002 10.583 1.00 0.26 H new ATOM 0 HD11 ILE A 88 5.004 -10.699 13.774 1.00 0.36 H new ATOM 0 HD12 ILE A 88 6.530 -11.391 13.173 1.00 0.36 H new ATOM 0 HD13 ILE A 88 6.395 -9.638 13.449 1.00 0.36 H new ATOM 1337 N LYS A 89 3.862 -10.446 8.798 1.00 0.17 N ATOM 1338 CA LYS A 89 2.534 -9.831 8.563 1.00 0.16 C ATOM 1339 C LYS A 89 1.786 -10.013 9.881 1.00 0.15 C ATOM 1340 O LYS A 89 1.537 -11.122 10.309 1.00 0.08 O ATOM 1341 CB LYS A 89 1.815 -10.554 7.416 1.00 0.18 C ATOM 1342 CG LYS A 89 0.359 -10.831 7.796 1.00 0.92 C ATOM 1343 CD LYS A 89 -0.336 -11.570 6.652 1.00 1.00 C ATOM 1344 CE LYS A 89 -1.300 -10.619 5.939 1.00 0.64 C ATOM 1345 NZ LYS A 89 -2.423 -11.399 5.352 1.00 0.67 N ATOM 0 H LYS A 89 3.876 -11.465 8.753 1.00 0.17 H new ATOM 0 HA LYS A 89 2.599 -8.781 8.276 1.00 0.16 H new ATOM 0 HB2 LYS A 89 1.853 -9.946 6.512 1.00 0.18 H new ATOM 0 HB3 LYS A 89 2.324 -11.491 7.191 1.00 0.18 H new ATOM 0 HG2 LYS A 89 0.317 -11.428 8.707 1.00 0.92 H new ATOM 0 HG3 LYS A 89 -0.158 -9.894 8.005 1.00 0.92 H new ATOM 0 HD2 LYS A 89 0.404 -11.950 5.948 1.00 1.00 H new ATOM 0 HD3 LYS A 89 -0.879 -12.432 7.039 1.00 1.00 H new ATOM 0 HE2 LYS A 89 -1.685 -9.880 6.642 1.00 0.64 H new ATOM 0 HE3 LYS A 89 -0.775 -10.072 5.156 1.00 0.64 H new ATOM 0 HZ1 LYS A 89 -3.078 -10.753 4.867 1.00 0.67 H new ATOM 0 HZ2 LYS A 89 -2.048 -12.088 4.669 1.00 0.67 H new ATOM 0 HZ3 LYS A 89 -2.929 -11.902 6.109 1.00 0.67 H new ATOM 1359 N TYR A 90 1.505 -8.953 10.579 1.00 0.34 N ATOM 1360 CA TYR A 90 0.864 -9.121 11.909 1.00 0.32 C ATOM 1361 C TYR A 90 -0.405 -8.285 12.053 1.00 0.31 C ATOM 1362 O TYR A 90 -0.457 -7.137 11.661 1.00 0.33 O ATOM 1363 CB TYR A 90 1.860 -8.680 12.981 1.00 0.34 C ATOM 1364 CG TYR A 90 1.245 -8.933 14.314 1.00 0.22 C ATOM 1365 CD1 TYR A 90 0.765 -10.205 14.601 1.00 0.24 C ATOM 1366 CD2 TYR A 90 1.124 -7.902 15.245 1.00 0.33 C ATOM 1367 CE1 TYR A 90 0.156 -10.459 15.823 1.00 0.37 C ATOM 1368 CE2 TYR A 90 0.521 -8.152 16.479 1.00 0.27 C ATOM 1369 CZ TYR A 90 0.033 -9.436 16.767 1.00 0.32 C ATOM 1370 OH TYR A 90 -0.580 -9.693 17.973 1.00 0.47 O ATOM 0 H TYR A 90 1.688 -7.991 10.293 1.00 0.34 H new ATOM 0 HA TYR A 90 0.586 -10.169 12.019 1.00 0.32 H new ATOM 0 HB2 TYR A 90 2.795 -9.231 12.882 1.00 0.34 H new ATOM 0 HB3 TYR A 90 2.100 -7.623 12.867 1.00 0.34 H new ATOM 0 HD1 TYR A 90 0.866 -10.997 13.873 1.00 0.24 H new ATOM 0 HD2 TYR A 90 1.495 -6.915 15.013 1.00 0.33 H new ATOM 0 HE1 TYR A 90 -0.222 -11.446 16.044 1.00 0.37 H new ATOM 0 HE2 TYR A 90 0.430 -7.361 17.209 1.00 0.27 H new ATOM 0 HH TYR A 90 -0.867 -10.630 18.001 1.00 0.47 H new ATOM 1380 N THR A 91 -1.419 -8.848 12.664 1.00 0.28 N ATOM 1381 CA THR A 91 -2.663 -8.071 12.888 1.00 0.27 C ATOM 1382 C THR A 91 -2.574 -7.470 14.289 1.00 0.27 C ATOM 1383 O THR A 91 -2.676 -8.153 15.288 1.00 0.29 O ATOM 1384 CB THR A 91 -3.890 -8.983 12.795 1.00 0.29 C ATOM 1385 OG1 THR A 91 -3.470 -10.331 12.636 1.00 0.54 O ATOM 1386 CG2 THR A 91 -4.745 -8.566 11.598 1.00 0.52 C ATOM 0 H THR A 91 -1.433 -9.806 13.013 1.00 0.28 H new ATOM 0 HA THR A 91 -2.766 -7.293 12.131 1.00 0.27 H new ATOM 0 HB THR A 91 -4.479 -8.895 13.708 1.00 0.29 H new ATOM 0 HG1 THR A 91 -4.256 -10.914 12.578 1.00 0.54 H new ATOM 0 HG21 THR A 91 -5.618 -9.215 11.531 1.00 0.52 H new ATOM 0 HG22 THR A 91 -5.069 -7.533 11.725 1.00 0.52 H new ATOM 0 HG23 THR A 91 -4.158 -8.653 10.684 1.00 0.52 H new ATOM 1394 N TRP A 92 -2.352 -6.197 14.351 1.00 0.25 N ATOM 1395 CA TRP A 92 -2.209 -5.491 15.654 1.00 0.27 C ATOM 1396 C TRP A 92 -3.590 -5.170 16.224 1.00 0.32 C ATOM 1397 O TRP A 92 -4.191 -4.164 15.903 1.00 0.38 O ATOM 1398 CB TRP A 92 -1.424 -4.214 15.370 1.00 0.31 C ATOM 1399 CG TRP A 92 -1.143 -3.428 16.605 1.00 0.28 C ATOM 1400 CD1 TRP A 92 -0.425 -3.865 17.665 1.00 0.18 C ATOM 1401 CD2 TRP A 92 -1.515 -2.050 16.903 1.00 0.34 C ATOM 1402 NE1 TRP A 92 -0.333 -2.840 18.589 1.00 0.17 N ATOM 1403 CE2 TRP A 92 -0.985 -1.704 18.162 1.00 0.26 C ATOM 1404 CE3 TRP A 92 -2.256 -1.073 16.211 1.00 0.45 C ATOM 1405 CZ2 TRP A 92 -1.171 -0.439 18.707 1.00 0.30 C ATOM 1406 CZ3 TRP A 92 -2.448 0.201 16.775 1.00 0.49 C ATOM 1407 CH2 TRP A 92 -1.901 0.514 18.016 1.00 0.41 C ATOM 0 H TRP A 92 -2.260 -5.595 13.533 1.00 0.25 H new ATOM 0 HA TRP A 92 -1.690 -6.104 16.391 1.00 0.27 H new ATOM 0 HB2 TRP A 92 -0.482 -4.471 14.885 1.00 0.31 H new ATOM 0 HB3 TRP A 92 -1.985 -3.595 14.670 1.00 0.31 H new ATOM 0 HD1 TRP A 92 0.005 -4.850 17.772 1.00 0.18 H new ATOM 0 HE1 TRP A 92 0.158 -2.916 19.480 1.00 0.17 H new ATOM 0 HE3 TRP A 92 -2.678 -1.303 15.244 1.00 0.45 H new ATOM 0 HZ2 TRP A 92 -0.746 -0.199 19.670 1.00 0.30 H new ATOM 0 HZ3 TRP A 92 -3.024 0.942 16.241 1.00 0.49 H new ATOM 0 HH2 TRP A 92 -2.045 1.497 18.439 1.00 0.41 H new ATOM 1418 N ASN A 93 -4.097 -6.027 17.068 1.00 0.31 N ATOM 1419 CA ASN A 93 -5.440 -5.787 17.662 1.00 0.39 C ATOM 1420 C ASN A 93 -5.373 -4.579 18.592 1.00 0.57 C ATOM 1421 O ASN A 93 -4.788 -4.628 19.655 1.00 0.69 O ATOM 1422 CB ASN A 93 -5.876 -7.020 18.455 1.00 0.47 C ATOM 1423 CG ASN A 93 -6.470 -8.055 17.498 1.00 1.53 C ATOM 1424 OD1 ASN A 93 -5.766 -8.621 16.684 1.00 2.88 O ATOM 1425 ND2 ASN A 93 -7.745 -8.326 17.557 1.00 1.74 N ATOM 0 H ASN A 93 -3.636 -6.885 17.372 1.00 0.31 H new ATOM 0 HA ASN A 93 -6.161 -5.595 16.867 1.00 0.39 H new ATOM 0 HB2 ASN A 93 -5.024 -7.445 18.985 1.00 0.47 H new ATOM 0 HB3 ASN A 93 -6.612 -6.740 19.208 1.00 0.47 H new ATOM 0 HD21 ASN A 93 -8.151 -9.012 16.921 1.00 1.74 H new ATOM 0 HD22 ASN A 93 -8.336 -7.852 18.240 1.00 1.74 H new ATOM 1432 N VAL A 94 -5.980 -3.497 18.202 1.00 0.65 N ATOM 1433 CA VAL A 94 -5.966 -2.283 19.063 1.00 0.85 C ATOM 1434 C VAL A 94 -6.628 -2.639 20.401 1.00 1.02 C ATOM 1435 O VAL A 94 -7.578 -3.396 20.434 1.00 1.08 O ATOM 1436 CB VAL A 94 -6.745 -1.162 18.352 1.00 1.00 C ATOM 1437 CG1 VAL A 94 -6.515 0.171 19.063 1.00 1.11 C ATOM 1438 CG2 VAL A 94 -6.255 -1.035 16.904 1.00 0.95 C ATOM 0 H VAL A 94 -6.487 -3.399 17.322 1.00 0.65 H new ATOM 0 HA VAL A 94 -4.948 -1.940 19.244 1.00 0.85 H new ATOM 0 HB VAL A 94 -7.807 -1.409 18.370 1.00 1.00 H new ATOM 0 HG11 VAL A 94 -7.071 0.957 18.551 1.00 1.11 H new ATOM 0 HG12 VAL A 94 -6.858 0.097 20.095 1.00 1.11 H new ATOM 0 HG13 VAL A 94 -5.452 0.411 19.050 1.00 1.11 H new ATOM 0 HG21 VAL A 94 -6.807 -0.241 16.401 1.00 0.95 H new ATOM 0 HG22 VAL A 94 -5.191 -0.796 16.899 1.00 0.95 H new ATOM 0 HG23 VAL A 94 -6.418 -1.977 16.381 1.00 0.95 H new ATOM 1448 N PRO A 95 -6.108 -2.090 21.469 1.00 1.12 N ATOM 1449 CA PRO A 95 -6.629 -2.347 22.828 1.00 1.33 C ATOM 1450 C PRO A 95 -8.034 -1.771 23.015 1.00 1.69 C ATOM 1451 O PRO A 95 -8.704 -2.065 23.985 1.00 3.80 O ATOM 1452 CB PRO A 95 -5.611 -1.658 23.745 1.00 1.20 C ATOM 1453 CG PRO A 95 -4.859 -0.635 22.871 1.00 1.07 C ATOM 1454 CD PRO A 95 -4.961 -1.155 21.427 1.00 1.04 C ATOM 0 HA PRO A 95 -6.733 -3.411 23.040 1.00 1.33 H new ATOM 0 HB2 PRO A 95 -6.111 -1.164 24.578 1.00 1.20 H new ATOM 0 HB3 PRO A 95 -4.920 -2.384 24.173 1.00 1.20 H new ATOM 0 HG2 PRO A 95 -5.303 0.356 22.961 1.00 1.07 H new ATOM 0 HG3 PRO A 95 -3.818 -0.547 23.181 1.00 1.07 H new ATOM 0 HD2 PRO A 95 -5.132 -0.343 20.720 1.00 1.04 H new ATOM 0 HD3 PRO A 95 -4.045 -1.659 21.117 1.00 1.04 H new ATOM 1462 N LYS A 96 -8.488 -0.958 22.106 1.00 0.81 N ATOM 1463 CA LYS A 96 -9.851 -0.372 22.251 1.00 0.73 C ATOM 1464 C LYS A 96 -9.818 0.746 23.299 1.00 0.65 C ATOM 1465 O LYS A 96 -10.784 1.461 23.483 1.00 0.69 O ATOM 1466 CB LYS A 96 -10.834 -1.460 22.692 1.00 0.96 C ATOM 1467 CG LYS A 96 -12.059 -1.438 21.774 1.00 1.19 C ATOM 1468 CD LYS A 96 -13.196 -0.699 22.461 1.00 2.07 C ATOM 1469 CE LYS A 96 -14.273 -1.697 22.884 1.00 0.89 C ATOM 1470 NZ LYS A 96 -14.678 -1.425 24.292 1.00 2.98 N ATOM 0 H LYS A 96 -7.978 -0.673 21.270 1.00 0.81 H new ATOM 0 HA LYS A 96 -10.173 0.038 21.294 1.00 0.73 H new ATOM 0 HB2 LYS A 96 -10.354 -2.438 22.653 1.00 0.96 H new ATOM 0 HB3 LYS A 96 -11.137 -1.295 23.726 1.00 0.96 H new ATOM 0 HG2 LYS A 96 -11.811 -0.950 20.831 1.00 1.19 H new ATOM 0 HG3 LYS A 96 -12.365 -2.456 21.535 1.00 1.19 H new ATOM 0 HD2 LYS A 96 -12.821 -0.162 23.332 1.00 2.07 H new ATOM 0 HD3 LYS A 96 -13.620 0.045 21.787 1.00 2.07 H new ATOM 0 HE2 LYS A 96 -15.137 -1.617 22.224 1.00 0.89 H new ATOM 0 HE3 LYS A 96 -13.896 -2.716 22.793 1.00 0.89 H new ATOM 0 HZ1 LYS A 96 -15.411 -2.104 24.580 1.00 2.98 H new ATOM 0 HZ2 LYS A 96 -13.852 -1.522 24.916 1.00 2.98 H new ATOM 0 HZ3 LYS A 96 -15.054 -0.458 24.364 1.00 2.98 H new ATOM 1484 N ILE A 97 -8.713 0.913 23.981 1.00 0.55 N ATOM 1485 CA ILE A 97 -8.621 1.985 24.999 1.00 0.50 C ATOM 1486 C ILE A 97 -8.027 3.220 24.344 1.00 0.48 C ATOM 1487 O ILE A 97 -8.287 4.334 24.753 1.00 0.47 O ATOM 1488 CB ILE A 97 -7.694 1.531 26.122 1.00 0.44 C ATOM 1489 CG1 ILE A 97 -6.233 1.630 25.660 1.00 0.41 C ATOM 1490 CG2 ILE A 97 -8.020 0.083 26.497 1.00 0.46 C ATOM 1491 CD1 ILE A 97 -5.303 1.361 26.845 1.00 0.31 C ATOM 0 H ILE A 97 -7.871 0.347 23.871 1.00 0.55 H new ATOM 0 HA ILE A 97 -9.609 2.205 25.402 1.00 0.50 H new ATOM 0 HB ILE A 97 -7.838 2.172 26.992 1.00 0.44 H new ATOM 0 HG12 ILE A 97 -6.043 0.910 24.864 1.00 0.41 H new ATOM 0 HG13 ILE A 97 -6.037 2.620 25.248 1.00 0.41 H new ATOM 0 HG21 ILE A 97 -7.358 -0.243 27.299 1.00 0.46 H new ATOM 0 HG22 ILE A 97 -9.055 0.018 26.832 1.00 0.46 H new ATOM 0 HG23 ILE A 97 -7.879 -0.559 25.627 1.00 0.46 H new ATOM 0 HD11 ILE A 97 -4.266 1.431 26.517 1.00 0.31 H new ATOM 0 HD12 ILE A 97 -5.487 2.098 27.627 1.00 0.31 H new ATOM 0 HD13 ILE A 97 -5.493 0.362 27.237 1.00 0.31 H new ATOM 1503 N ALA A 98 -7.227 3.010 23.328 1.00 0.50 N ATOM 1504 CA ALA A 98 -6.590 4.150 22.607 1.00 0.51 C ATOM 1505 C ALA A 98 -7.552 5.340 22.630 1.00 0.50 C ATOM 1506 O ALA A 98 -8.654 5.252 22.125 1.00 0.45 O ATOM 1507 CB ALA A 98 -6.314 3.754 21.157 1.00 0.46 C ATOM 0 H ALA A 98 -6.987 2.087 22.965 1.00 0.50 H new ATOM 0 HA ALA A 98 -5.650 4.414 23.091 1.00 0.51 H new ATOM 0 HB1 ALA A 98 -5.849 4.589 20.634 1.00 0.46 H new ATOM 0 HB2 ALA A 98 -5.644 2.894 21.136 1.00 0.46 H new ATOM 0 HB3 ALA A 98 -7.252 3.495 20.666 1.00 0.46 H new ATOM 1513 N PRO A 99 -7.122 6.399 23.249 1.00 0.56 N ATOM 1514 CA PRO A 99 -7.933 7.613 23.403 1.00 0.57 C ATOM 1515 C PRO A 99 -7.814 8.481 22.157 1.00 0.50 C ATOM 1516 O PRO A 99 -6.740 8.635 21.619 1.00 0.48 O ATOM 1517 CB PRO A 99 -7.287 8.312 24.602 1.00 0.66 C ATOM 1518 CG PRO A 99 -5.832 7.780 24.689 1.00 0.69 C ATOM 1519 CD PRO A 99 -5.781 6.490 23.847 1.00 0.63 C ATOM 0 HA PRO A 99 -8.995 7.412 23.544 1.00 0.57 H new ATOM 0 HB2 PRO A 99 -7.297 9.394 24.472 1.00 0.66 H new ATOM 0 HB3 PRO A 99 -7.835 8.096 25.519 1.00 0.66 H new ATOM 0 HG2 PRO A 99 -5.126 8.519 24.309 1.00 0.69 H new ATOM 0 HG3 PRO A 99 -5.555 7.578 25.724 1.00 0.69 H new ATOM 0 HD2 PRO A 99 -5.006 6.543 23.082 1.00 0.63 H new ATOM 0 HD3 PRO A 99 -5.560 5.619 24.464 1.00 0.63 H new ATOM 1527 N LYS A 100 -8.895 9.060 21.702 1.00 0.48 N ATOM 1528 CA LYS A 100 -8.815 9.933 20.503 1.00 0.42 C ATOM 1529 C LYS A 100 -7.680 10.929 20.723 1.00 0.44 C ATOM 1530 O LYS A 100 -7.866 11.990 21.284 1.00 0.51 O ATOM 1531 CB LYS A 100 -10.142 10.672 20.333 1.00 0.45 C ATOM 1532 CG LYS A 100 -11.102 9.804 19.508 1.00 0.69 C ATOM 1533 CD LYS A 100 -11.794 10.654 18.440 1.00 0.88 C ATOM 1534 CE LYS A 100 -10.754 11.492 17.704 1.00 2.15 C ATOM 1535 NZ LYS A 100 -10.942 12.928 18.052 1.00 3.28 N ATOM 0 H LYS A 100 -9.825 8.964 22.110 1.00 0.48 H new ATOM 0 HA LYS A 100 -8.624 9.346 19.604 1.00 0.42 H new ATOM 0 HB2 LYS A 100 -10.577 10.891 21.308 1.00 0.45 H new ATOM 0 HB3 LYS A 100 -9.978 11.628 19.835 1.00 0.45 H new ATOM 0 HG2 LYS A 100 -10.553 8.989 19.036 1.00 0.69 H new ATOM 0 HG3 LYS A 100 -11.847 9.350 20.162 1.00 0.69 H new ATOM 0 HD2 LYS A 100 -12.324 10.012 17.736 1.00 0.88 H new ATOM 0 HD3 LYS A 100 -12.538 11.303 18.902 1.00 0.88 H new ATOM 0 HE2 LYS A 100 -9.750 11.168 17.978 1.00 2.15 H new ATOM 0 HE3 LYS A 100 -10.852 11.351 16.628 1.00 2.15 H new ATOM 0 HZ1 LYS A 100 -10.026 13.419 18.007 1.00 3.28 H new ATOM 0 HZ2 LYS A 100 -11.603 13.365 17.378 1.00 3.28 H new ATOM 0 HZ3 LYS A 100 -11.329 13.004 19.014 1.00 3.28 H new ATOM 1549 N SER A 101 -6.496 10.576 20.309 1.00 0.41 N ATOM 1550 CA SER A 101 -5.330 11.469 20.512 1.00 0.44 C ATOM 1551 C SER A 101 -5.127 12.324 19.264 1.00 0.35 C ATOM 1552 O SER A 101 -4.986 11.813 18.170 1.00 0.18 O ATOM 1553 CB SER A 101 -4.091 10.607 20.773 1.00 0.47 C ATOM 1554 OG SER A 101 -3.150 11.351 21.537 1.00 0.56 O ATOM 0 H SER A 101 -6.288 9.698 19.834 1.00 0.41 H new ATOM 0 HA SER A 101 -5.499 12.127 21.365 1.00 0.44 H new ATOM 0 HB2 SER A 101 -4.372 9.699 21.306 1.00 0.47 H new ATOM 0 HB3 SER A 101 -3.645 10.297 19.828 1.00 0.47 H new ATOM 0 HG SER A 101 -2.559 11.849 20.934 1.00 0.56 H new ATOM 1560 N GLU A 102 -5.113 13.622 19.419 1.00 0.49 N ATOM 1561 CA GLU A 102 -4.919 14.507 18.240 1.00 0.47 C ATOM 1562 C GLU A 102 -3.812 13.922 17.370 1.00 0.35 C ATOM 1563 O GLU A 102 -3.935 13.832 16.167 1.00 0.31 O ATOM 1564 CB GLU A 102 -4.518 15.907 18.709 1.00 0.62 C ATOM 1565 CG GLU A 102 -3.286 16.366 17.931 1.00 1.04 C ATOM 1566 CD GLU A 102 -3.002 17.838 18.235 1.00 1.31 C ATOM 1567 OE1 GLU A 102 -3.814 18.451 18.910 1.00 1.75 O ATOM 1568 OE2 GLU A 102 -1.978 18.327 17.789 1.00 1.23 O ATOM 0 H GLU A 102 -5.228 14.104 20.311 1.00 0.49 H new ATOM 0 HA GLU A 102 -5.845 14.576 17.669 1.00 0.47 H new ATOM 0 HB2 GLU A 102 -5.341 16.605 18.554 1.00 0.62 H new ATOM 0 HB3 GLU A 102 -4.305 15.898 19.778 1.00 0.62 H new ATOM 0 HG2 GLU A 102 -2.425 15.756 18.203 1.00 1.04 H new ATOM 0 HG3 GLU A 102 -3.448 16.230 16.862 1.00 1.04 H new ATOM 1575 N ASN A 103 -2.735 13.513 17.976 1.00 0.36 N ATOM 1576 CA ASN A 103 -1.620 12.915 17.197 1.00 0.30 C ATOM 1577 C ASN A 103 -1.187 11.610 17.861 1.00 0.32 C ATOM 1578 O ASN A 103 -1.147 11.500 19.071 1.00 0.46 O ATOM 1579 CB ASN A 103 -0.440 13.889 17.167 1.00 0.42 C ATOM 1580 CG ASN A 103 0.010 14.105 15.723 1.00 0.31 C ATOM 1581 OD1 ASN A 103 0.009 15.218 15.235 1.00 0.93 O ATOM 1582 ND2 ASN A 103 0.395 13.081 15.012 1.00 0.64 N ATOM 0 H ASN A 103 -2.579 13.568 18.982 1.00 0.36 H new ATOM 0 HA ASN A 103 -1.950 12.715 16.178 1.00 0.30 H new ATOM 0 HB2 ASN A 103 -0.729 14.840 17.615 1.00 0.42 H new ATOM 0 HB3 ASN A 103 0.385 13.495 17.761 1.00 0.42 H new ATOM 0 HD21 ASN A 103 0.695 13.215 14.046 1.00 0.64 H new ATOM 0 HD22 ASN A 103 0.396 12.147 15.422 1.00 0.64 H new ATOM 1589 N VAL A 104 -0.863 10.620 17.082 1.00 0.29 N ATOM 1590 CA VAL A 104 -0.434 9.324 17.663 1.00 0.37 C ATOM 1591 C VAL A 104 0.850 8.863 16.985 1.00 0.33 C ATOM 1592 O VAL A 104 1.047 9.064 15.803 1.00 0.33 O ATOM 1593 CB VAL A 104 -1.523 8.279 17.436 1.00 0.48 C ATOM 1594 CG1 VAL A 104 -0.878 6.901 17.274 1.00 0.68 C ATOM 1595 CG2 VAL A 104 -2.461 8.266 18.643 1.00 0.60 C ATOM 0 H VAL A 104 -0.877 10.654 16.063 1.00 0.29 H new ATOM 0 HA VAL A 104 -0.261 9.447 18.732 1.00 0.37 H new ATOM 0 HB VAL A 104 -2.087 8.522 16.535 1.00 0.48 H new ATOM 0 HG11 VAL A 104 -1.654 6.153 17.112 1.00 0.68 H new ATOM 0 HG12 VAL A 104 -0.202 6.914 16.419 1.00 0.68 H new ATOM 0 HG13 VAL A 104 -0.318 6.653 18.176 1.00 0.68 H new ATOM 0 HG21 VAL A 104 -3.242 7.522 18.489 1.00 0.60 H new ATOM 0 HG22 VAL A 104 -1.895 8.017 19.541 1.00 0.60 H new ATOM 0 HG23 VAL A 104 -2.915 9.250 18.761 1.00 0.60 H new ATOM 1605 N VAL A 105 1.715 8.222 17.715 1.00 0.32 N ATOM 1606 CA VAL A 105 2.972 7.722 17.105 1.00 0.30 C ATOM 1607 C VAL A 105 3.080 6.234 17.410 1.00 0.30 C ATOM 1608 O VAL A 105 3.202 5.829 18.546 1.00 0.32 O ATOM 1609 CB VAL A 105 4.172 8.457 17.706 1.00 0.30 C ATOM 1610 CG1 VAL A 105 5.465 7.818 17.200 1.00 0.32 C ATOM 1611 CG2 VAL A 105 4.129 9.928 17.284 1.00 0.31 C ATOM 0 H VAL A 105 1.605 8.023 18.709 1.00 0.32 H new ATOM 0 HA VAL A 105 2.963 7.893 16.029 1.00 0.30 H new ATOM 0 HB VAL A 105 4.135 8.389 18.793 1.00 0.30 H new ATOM 0 HG11 VAL A 105 6.321 8.341 17.627 1.00 0.32 H new ATOM 0 HG12 VAL A 105 5.494 6.770 17.498 1.00 0.32 H new ATOM 0 HG13 VAL A 105 5.504 7.887 16.113 1.00 0.32 H new ATOM 0 HG21 VAL A 105 4.983 10.454 17.711 1.00 0.31 H new ATOM 0 HG22 VAL A 105 4.167 9.996 16.197 1.00 0.31 H new ATOM 0 HG23 VAL A 105 3.206 10.383 17.643 1.00 0.31 H new ATOM 1621 N VAL A 106 3.025 5.411 16.413 1.00 0.29 N ATOM 1622 CA VAL A 106 3.105 3.955 16.673 1.00 0.30 C ATOM 1623 C VAL A 106 4.544 3.489 16.498 1.00 0.33 C ATOM 1624 O VAL A 106 5.228 3.882 15.575 1.00 0.39 O ATOM 1625 CB VAL A 106 2.189 3.228 15.696 1.00 0.28 C ATOM 1626 CG1 VAL A 106 1.748 1.896 16.300 1.00 0.28 C ATOM 1627 CG2 VAL A 106 0.961 4.100 15.426 1.00 0.28 C ATOM 0 H VAL A 106 2.929 5.679 15.434 1.00 0.29 H new ATOM 0 HA VAL A 106 2.788 3.736 17.693 1.00 0.30 H new ATOM 0 HB VAL A 106 2.720 3.038 14.763 1.00 0.28 H new ATOM 0 HG11 VAL A 106 1.093 1.378 15.599 1.00 0.28 H new ATOM 0 HG12 VAL A 106 2.624 1.280 16.501 1.00 0.28 H new ATOM 0 HG13 VAL A 106 1.212 2.079 17.231 1.00 0.28 H new ATOM 0 HG21 VAL A 106 0.298 3.589 14.728 1.00 0.28 H new ATOM 0 HG22 VAL A 106 0.432 4.282 16.361 1.00 0.28 H new ATOM 0 HG23 VAL A 106 1.277 5.051 14.997 1.00 0.28 H new ATOM 1637 N THR A 107 5.016 2.656 17.378 1.00 0.32 N ATOM 1638 CA THR A 107 6.413 2.176 17.262 1.00 0.36 C ATOM 1639 C THR A 107 6.420 0.668 17.086 1.00 0.37 C ATOM 1640 O THR A 107 6.108 -0.066 17.993 1.00 0.34 O ATOM 1641 CB THR A 107 7.171 2.517 18.544 1.00 0.38 C ATOM 1642 OG1 THR A 107 7.039 3.906 18.815 1.00 0.38 O ATOM 1643 CG2 THR A 107 8.648 2.162 18.374 1.00 0.44 C ATOM 0 H THR A 107 4.493 2.288 18.172 1.00 0.32 H new ATOM 0 HA THR A 107 6.886 2.654 16.404 1.00 0.36 H new ATOM 0 HB THR A 107 6.758 1.946 19.375 1.00 0.38 H new ATOM 0 HG1 THR A 107 7.523 4.126 19.638 1.00 0.38 H new ATOM 0 HG21 THR A 107 9.188 2.405 19.289 1.00 0.44 H new ATOM 0 HG22 THR A 107 8.745 1.096 18.168 1.00 0.44 H new ATOM 0 HG23 THR A 107 9.066 2.731 17.544 1.00 0.44 H new ATOM 1651 N VAL A 108 6.811 0.199 15.945 1.00 0.43 N ATOM 1652 CA VAL A 108 6.865 -1.265 15.736 1.00 0.46 C ATOM 1653 C VAL A 108 8.279 -1.704 16.089 1.00 0.49 C ATOM 1654 O VAL A 108 9.240 -1.158 15.597 1.00 0.53 O ATOM 1655 CB VAL A 108 6.564 -1.569 14.274 1.00 0.47 C ATOM 1656 CG1 VAL A 108 7.809 -2.155 13.603 1.00 0.47 C ATOM 1657 CG2 VAL A 108 5.399 -2.562 14.197 1.00 0.47 C ATOM 0 H VAL A 108 7.096 0.766 15.146 1.00 0.43 H new ATOM 0 HA VAL A 108 6.136 -1.791 16.352 1.00 0.46 H new ATOM 0 HB VAL A 108 6.287 -0.652 13.754 1.00 0.47 H new ATOM 0 HG11 VAL A 108 7.591 -2.372 12.557 1.00 0.47 H new ATOM 0 HG12 VAL A 108 8.626 -1.436 13.662 1.00 0.47 H new ATOM 0 HG13 VAL A 108 8.097 -3.075 14.111 1.00 0.47 H new ATOM 0 HG21 VAL A 108 5.178 -2.784 13.153 1.00 0.47 H new ATOM 0 HG22 VAL A 108 5.671 -3.482 14.714 1.00 0.47 H new ATOM 0 HG23 VAL A 108 4.518 -2.127 14.669 1.00 0.47 H new ATOM 1667 N LYS A 109 8.433 -2.640 16.972 1.00 0.46 N ATOM 1668 CA LYS A 109 9.814 -3.011 17.364 1.00 0.46 C ATOM 1669 C LYS A 109 9.969 -4.515 17.567 1.00 0.36 C ATOM 1670 O LYS A 109 9.213 -5.144 18.275 1.00 0.27 O ATOM 1671 CB LYS A 109 10.138 -2.290 18.672 1.00 0.44 C ATOM 1672 CG LYS A 109 11.583 -2.561 19.066 1.00 0.80 C ATOM 1673 CD LYS A 109 11.700 -2.578 20.589 1.00 0.71 C ATOM 1674 CE LYS A 109 12.347 -1.276 21.062 1.00 1.14 C ATOM 1675 NZ LYS A 109 12.862 -1.450 22.449 1.00 2.07 N ATOM 0 H LYS A 109 7.682 -3.155 17.432 1.00 0.46 H new ATOM 0 HA LYS A 109 10.496 -2.720 16.565 1.00 0.46 H new ATOM 0 HB2 LYS A 109 9.978 -1.218 18.556 1.00 0.44 H new ATOM 0 HB3 LYS A 109 9.467 -2.629 19.461 1.00 0.44 H new ATOM 0 HG2 LYS A 109 11.911 -3.516 18.655 1.00 0.80 H new ATOM 0 HG3 LYS A 109 12.235 -1.794 18.649 1.00 0.80 H new ATOM 0 HD2 LYS A 109 10.714 -2.692 21.039 1.00 0.71 H new ATOM 0 HD3 LYS A 109 12.297 -3.432 20.910 1.00 0.71 H new ATOM 0 HE2 LYS A 109 13.161 -0.999 20.393 1.00 1.14 H new ATOM 0 HE3 LYS A 109 11.620 -0.465 21.032 1.00 1.14 H new ATOM 0 HZ1 LYS A 109 13.302 -0.564 22.770 1.00 2.07 H new ATOM 0 HZ2 LYS A 109 12.075 -1.695 23.083 1.00 2.07 H new ATOM 0 HZ3 LYS A 109 13.569 -2.213 22.464 1.00 2.07 H new ATOM 1689 N LEU A 110 10.983 -5.085 16.986 1.00 0.37 N ATOM 1690 CA LEU A 110 11.227 -6.535 17.180 1.00 0.29 C ATOM 1691 C LEU A 110 12.393 -6.670 18.153 1.00 0.18 C ATOM 1692 O LEU A 110 13.349 -5.928 18.075 1.00 0.22 O ATOM 1693 CB LEU A 110 11.601 -7.196 15.851 1.00 0.41 C ATOM 1694 CG LEU A 110 10.371 -7.321 14.950 1.00 0.56 C ATOM 1695 CD1 LEU A 110 10.629 -8.390 13.890 1.00 0.78 C ATOM 1696 CD2 LEU A 110 9.154 -7.729 15.779 1.00 0.44 C ATOM 0 H LEU A 110 11.654 -4.608 16.384 1.00 0.37 H new ATOM 0 HA LEU A 110 10.330 -7.021 17.563 1.00 0.29 H new ATOM 0 HB2 LEU A 110 12.369 -6.607 15.349 1.00 0.41 H new ATOM 0 HB3 LEU A 110 12.026 -8.183 16.036 1.00 0.41 H new ATOM 0 HG LEU A 110 10.179 -6.359 14.475 1.00 0.56 H new ATOM 0 HD11 LEU A 110 9.755 -8.482 13.246 1.00 0.78 H new ATOM 0 HD12 LEU A 110 11.494 -8.106 13.290 1.00 0.78 H new ATOM 0 HD13 LEU A 110 10.823 -9.346 14.377 1.00 0.78 H new ATOM 0 HD21 LEU A 110 8.283 -7.815 15.129 1.00 0.44 H new ATOM 0 HD22 LEU A 110 9.346 -8.689 16.258 1.00 0.44 H new ATOM 0 HD23 LEU A 110 8.964 -6.974 16.542 1.00 0.44 H new ATOM 1708 N ILE A 111 12.321 -7.579 19.083 1.00 0.10 N ATOM 1709 CA ILE A 111 13.422 -7.719 20.057 1.00 0.10 C ATOM 1710 C ILE A 111 13.861 -9.180 20.140 1.00 0.19 C ATOM 1711 O ILE A 111 13.089 -10.054 20.484 1.00 0.20 O ATOM 1712 CB ILE A 111 12.936 -7.271 21.428 1.00 0.13 C ATOM 1713 CG1 ILE A 111 12.582 -5.784 21.390 1.00 0.18 C ATOM 1714 CG2 ILE A 111 14.052 -7.506 22.432 1.00 0.28 C ATOM 1715 CD1 ILE A 111 11.277 -5.587 20.618 1.00 0.20 C ATOM 0 H ILE A 111 11.544 -8.229 19.206 1.00 0.10 H new ATOM 0 HA ILE A 111 14.264 -7.105 19.737 1.00 0.10 H new ATOM 0 HB ILE A 111 12.049 -7.836 21.714 1.00 0.13 H new ATOM 0 HG12 ILE A 111 12.478 -5.399 22.404 1.00 0.18 H new ATOM 0 HG13 ILE A 111 13.386 -5.221 20.916 1.00 0.18 H new ATOM 0 HG21 ILE A 111 13.723 -7.191 23.422 1.00 0.28 H new ATOM 0 HG22 ILE A 111 14.304 -8.566 22.454 1.00 0.28 H new ATOM 0 HG23 ILE A 111 14.930 -6.930 22.141 1.00 0.28 H new ATOM 0 HD11 ILE A 111 11.026 -4.527 20.592 1.00 0.20 H new ATOM 0 HD12 ILE A 111 11.397 -5.957 19.600 1.00 0.20 H new ATOM 0 HD13 ILE A 111 10.476 -6.137 21.111 1.00 0.20 H new ATOM 1727 N GLY A 112 15.099 -9.445 19.847 1.00 0.30 N ATOM 1728 CA GLY A 112 15.600 -10.845 19.927 1.00 0.43 C ATOM 1729 C GLY A 112 16.201 -11.074 21.316 1.00 0.55 C ATOM 1730 O GLY A 112 15.735 -10.532 22.298 1.00 0.86 O ATOM 0 H GLY A 112 15.789 -8.753 19.555 1.00 0.30 H new ATOM 0 HA2 GLY A 112 14.787 -11.548 19.747 1.00 0.43 H new ATOM 0 HA3 GLY A 112 16.351 -11.022 19.157 1.00 0.43 H new ATOM 1734 N ASP A 113 17.229 -11.872 21.410 1.00 0.38 N ATOM 1735 CA ASP A 113 17.849 -12.129 22.741 1.00 0.46 C ATOM 1736 C ASP A 113 19.104 -11.269 22.907 1.00 0.46 C ATOM 1737 O ASP A 113 19.761 -11.306 23.930 1.00 0.53 O ATOM 1738 CB ASP A 113 18.239 -13.604 22.843 1.00 0.57 C ATOM 1739 CG ASP A 113 17.402 -14.284 23.928 1.00 0.63 C ATOM 1740 OD1 ASP A 113 16.200 -14.375 23.751 1.00 1.24 O ATOM 1741 OD2 ASP A 113 17.979 -14.699 24.919 1.00 0.80 O ATOM 0 H ASP A 113 17.666 -12.356 20.625 1.00 0.38 H new ATOM 0 HA ASP A 113 17.131 -11.878 23.522 1.00 0.46 H new ATOM 0 HB2 ASP A 113 18.081 -14.099 21.885 1.00 0.57 H new ATOM 0 HB3 ASP A 113 19.300 -13.694 23.078 1.00 0.57 H new ATOM 1746 N ASN A 114 19.454 -10.502 21.912 1.00 0.39 N ATOM 1747 CA ASN A 114 20.678 -9.656 22.027 1.00 0.41 C ATOM 1748 C ASN A 114 20.301 -8.176 22.011 1.00 0.36 C ATOM 1749 O ASN A 114 21.116 -7.318 22.282 1.00 0.42 O ATOM 1750 CB ASN A 114 21.615 -9.945 20.855 1.00 0.40 C ATOM 1751 CG ASN A 114 22.440 -8.696 20.547 1.00 2.44 C ATOM 1752 OD1 ASN A 114 23.566 -8.576 20.986 1.00 2.23 O ATOM 1753 ND2 ASN A 114 21.924 -7.752 19.808 1.00 4.67 N ATOM 0 H ASN A 114 18.950 -10.423 21.029 1.00 0.39 H new ATOM 0 HA ASN A 114 21.177 -9.890 22.967 1.00 0.41 H new ATOM 0 HB2 ASN A 114 22.274 -10.779 21.098 1.00 0.40 H new ATOM 0 HB3 ASN A 114 21.039 -10.239 19.978 1.00 0.40 H new ATOM 0 HD21 ASN A 114 22.466 -6.914 19.599 1.00 4.67 H new ATOM 0 HD22 ASN A 114 20.978 -7.853 19.439 1.00 4.67 H new ATOM 1760 N GLY A 115 19.079 -7.863 21.699 1.00 0.30 N ATOM 1761 CA GLY A 115 18.672 -6.430 21.673 1.00 0.30 C ATOM 1762 C GLY A 115 17.417 -6.255 20.818 1.00 0.24 C ATOM 1763 O GLY A 115 16.573 -7.127 20.750 1.00 0.22 O ATOM 0 H GLY A 115 18.346 -8.531 21.462 1.00 0.30 H new ATOM 0 HA2 GLY A 115 18.482 -6.080 22.687 1.00 0.30 H new ATOM 0 HA3 GLY A 115 19.482 -5.821 21.272 1.00 0.30 H new ATOM 1767 N VAL A 116 17.283 -5.129 20.168 1.00 0.23 N ATOM 1768 CA VAL A 116 16.077 -4.897 19.324 1.00 0.19 C ATOM 1769 C VAL A 116 16.348 -5.340 17.886 1.00 0.17 C ATOM 1770 O VAL A 116 17.103 -4.722 17.165 1.00 0.21 O ATOM 1771 CB VAL A 116 15.724 -3.408 19.337 1.00 0.22 C ATOM 1772 CG1 VAL A 116 14.245 -3.245 19.011 1.00 0.19 C ATOM 1773 CG2 VAL A 116 16.006 -2.829 20.726 1.00 0.25 C ATOM 0 H VAL A 116 17.956 -4.362 20.186 1.00 0.23 H new ATOM 0 HA VAL A 116 15.246 -5.477 19.726 1.00 0.19 H new ATOM 0 HB VAL A 116 16.325 -2.880 18.597 1.00 0.22 H new ATOM 0 HG11 VAL A 116 13.985 -2.186 19.018 1.00 0.19 H new ATOM 0 HG12 VAL A 116 14.042 -3.662 18.025 1.00 0.19 H new ATOM 0 HG13 VAL A 116 13.648 -3.770 19.757 1.00 0.19 H new ATOM 0 HG21 VAL A 116 15.755 -1.768 20.736 1.00 0.25 H new ATOM 0 HG22 VAL A 116 15.402 -3.352 21.468 1.00 0.25 H new ATOM 0 HG23 VAL A 116 17.062 -2.954 20.965 1.00 0.25 H new ATOM 1783 N LEU A 117 15.727 -6.406 17.466 1.00 0.11 N ATOM 1784 CA LEU A 117 15.933 -6.891 16.073 1.00 0.10 C ATOM 1785 C LEU A 117 15.677 -5.748 15.082 1.00 0.13 C ATOM 1786 O LEU A 117 16.418 -5.558 14.138 1.00 0.12 O ATOM 1787 CB LEU A 117 14.956 -8.031 15.782 1.00 0.08 C ATOM 1788 CG LEU A 117 15.442 -9.312 16.460 1.00 0.07 C ATOM 1789 CD1 LEU A 117 14.301 -10.329 16.491 1.00 0.27 C ATOM 1790 CD2 LEU A 117 16.619 -9.895 15.672 1.00 0.24 C ATOM 0 H LEU A 117 15.084 -6.964 18.028 1.00 0.11 H new ATOM 0 HA LEU A 117 16.959 -7.244 15.965 1.00 0.10 H new ATOM 0 HB2 LEU A 117 13.961 -7.771 16.144 1.00 0.08 H new ATOM 0 HB3 LEU A 117 14.873 -8.186 14.706 1.00 0.08 H new ATOM 0 HG LEU A 117 15.763 -9.087 17.477 1.00 0.07 H new ATOM 0 HD11 LEU A 117 14.643 -11.245 16.974 1.00 0.27 H new ATOM 0 HD12 LEU A 117 13.461 -9.916 17.049 1.00 0.27 H new ATOM 0 HD13 LEU A 117 13.985 -10.552 15.472 1.00 0.27 H new ATOM 0 HD21 LEU A 117 16.965 -10.808 16.156 1.00 0.24 H new ATOM 0 HD22 LEU A 117 16.299 -10.122 14.655 1.00 0.24 H new ATOM 0 HD23 LEU A 117 17.432 -9.170 15.643 1.00 0.24 H new ATOM 1802 N ALA A 118 14.632 -4.988 15.284 1.00 0.20 N ATOM 1803 CA ALA A 118 14.334 -3.866 14.346 1.00 0.26 C ATOM 1804 C ALA A 118 13.440 -2.845 15.046 1.00 0.41 C ATOM 1805 O ALA A 118 13.112 -2.989 16.205 1.00 0.68 O ATOM 1806 CB ALA A 118 13.613 -4.408 13.110 1.00 0.25 C ATOM 0 H ALA A 118 13.974 -5.096 16.056 1.00 0.20 H new ATOM 0 HA ALA A 118 15.266 -3.390 14.042 1.00 0.26 H new ATOM 0 HB1 ALA A 118 13.396 -3.587 12.426 1.00 0.25 H new ATOM 0 HB2 ALA A 118 14.248 -5.139 12.610 1.00 0.25 H new ATOM 0 HB3 ALA A 118 12.680 -4.884 13.412 1.00 0.25 H new ATOM 1812 N CYS A 119 13.045 -1.807 14.358 1.00 0.23 N ATOM 1813 CA CYS A 119 12.180 -0.788 15.011 1.00 0.35 C ATOM 1814 C CYS A 119 11.565 0.144 13.952 1.00 0.31 C ATOM 1815 O CYS A 119 12.089 0.294 12.866 1.00 0.20 O ATOM 1816 CB CYS A 119 13.032 0.016 15.998 1.00 0.41 C ATOM 1817 SG CYS A 119 12.266 1.628 16.294 1.00 0.62 S ATOM 0 H CYS A 119 13.282 -1.623 13.383 1.00 0.23 H new ATOM 0 HA CYS A 119 11.366 -1.279 15.544 1.00 0.35 H new ATOM 0 HB2 CYS A 119 13.129 -0.529 16.937 1.00 0.41 H new ATOM 0 HB3 CYS A 119 14.038 0.148 15.601 1.00 0.41 H new ATOM 1822 N ALA A 120 10.448 0.764 14.258 1.00 0.41 N ATOM 1823 CA ALA A 120 9.792 1.673 13.271 1.00 0.39 C ATOM 1824 C ALA A 120 8.985 2.746 14.009 1.00 0.47 C ATOM 1825 O ALA A 120 8.478 2.514 15.087 1.00 0.42 O ATOM 1826 CB ALA A 120 8.848 0.861 12.394 1.00 0.40 C ATOM 0 H ALA A 120 9.964 0.677 15.152 1.00 0.41 H new ATOM 0 HA ALA A 120 10.557 2.150 12.658 1.00 0.39 H new ATOM 0 HB1 ALA A 120 8.366 1.519 11.671 1.00 0.40 H new ATOM 0 HB2 ALA A 120 9.413 0.093 11.865 1.00 0.40 H new ATOM 0 HB3 ALA A 120 8.089 0.388 13.017 1.00 0.40 H new ATOM 1832 N ILE A 121 8.855 3.916 13.440 1.00 0.60 N ATOM 1833 CA ILE A 121 8.071 4.987 14.114 1.00 0.69 C ATOM 1834 C ILE A 121 7.202 5.719 13.086 1.00 0.74 C ATOM 1835 O ILE A 121 7.695 6.287 12.136 1.00 0.75 O ATOM 1836 CB ILE A 121 9.031 5.974 14.772 1.00 0.72 C ATOM 1837 CG1 ILE A 121 9.748 5.278 15.931 1.00 0.67 C ATOM 1838 CG2 ILE A 121 8.246 7.168 15.304 1.00 0.84 C ATOM 1839 CD1 ILE A 121 10.670 6.274 16.634 1.00 0.83 C ATOM 0 H ILE A 121 9.258 4.174 12.539 1.00 0.60 H new ATOM 0 HA ILE A 121 7.426 4.543 14.873 1.00 0.69 H new ATOM 0 HB ILE A 121 9.762 6.319 14.041 1.00 0.72 H new ATOM 0 HG12 ILE A 121 9.019 4.881 16.637 1.00 0.67 H new ATOM 0 HG13 ILE A 121 10.326 4.432 15.559 1.00 0.67 H new ATOM 0 HG21 ILE A 121 8.931 7.874 15.774 1.00 0.84 H new ATOM 0 HG22 ILE A 121 7.728 7.659 14.480 1.00 0.84 H new ATOM 0 HG23 ILE A 121 7.517 6.826 16.038 1.00 0.84 H new ATOM 0 HD11 ILE A 121 11.180 5.777 17.459 1.00 0.83 H new ATOM 0 HD12 ILE A 121 11.408 6.650 15.925 1.00 0.83 H new ATOM 0 HD13 ILE A 121 10.081 7.106 17.020 1.00 0.83 H new ATOM 1851 N ALA A 122 5.912 5.721 13.274 1.00 0.75 N ATOM 1852 CA ALA A 122 5.022 6.428 12.310 1.00 0.79 C ATOM 1853 C ALA A 122 4.715 7.824 12.851 1.00 0.85 C ATOM 1854 O ALA A 122 4.522 8.011 14.036 1.00 0.91 O ATOM 1855 CB ALA A 122 3.717 5.643 12.146 1.00 0.80 C ATOM 0 H ALA A 122 5.436 5.265 14.052 1.00 0.75 H new ATOM 0 HA ALA A 122 5.516 6.508 11.342 1.00 0.79 H new ATOM 0 HB1 ALA A 122 3.067 6.161 11.441 1.00 0.80 H new ATOM 0 HB2 ALA A 122 3.938 4.644 11.770 1.00 0.80 H new ATOM 0 HB3 ALA A 122 3.216 5.564 13.111 1.00 0.80 H new ATOM 1861 N THR A 123 4.675 8.810 11.997 1.00 0.83 N ATOM 1862 CA THR A 123 4.389 10.194 12.472 1.00 0.89 C ATOM 1863 C THR A 123 3.197 10.772 11.704 1.00 0.96 C ATOM 1864 O THR A 123 2.717 10.190 10.750 1.00 2.75 O ATOM 1865 CB THR A 123 5.619 11.074 12.240 1.00 0.72 C ATOM 1866 OG1 THR A 123 5.850 11.201 10.844 1.00 0.66 O ATOM 1867 CG2 THR A 123 6.840 10.434 12.902 1.00 1.54 C ATOM 0 H THR A 123 4.828 8.718 10.993 1.00 0.83 H new ATOM 0 HA THR A 123 4.151 10.167 13.535 1.00 0.89 H new ATOM 0 HB THR A 123 5.448 12.059 12.674 1.00 0.72 H new ATOM 0 HG1 THR A 123 6.636 11.766 10.693 1.00 0.66 H new ATOM 0 HG21 THR A 123 7.715 11.062 12.736 1.00 1.54 H new ATOM 0 HG22 THR A 123 6.663 10.335 13.973 1.00 1.54 H new ATOM 0 HG23 THR A 123 7.013 9.448 12.470 1.00 1.54 H new ATOM 1875 N HIS A 124 2.717 11.915 12.116 1.00 1.10 N ATOM 1876 CA HIS A 124 1.558 12.541 11.418 1.00 0.88 C ATOM 1877 C HIS A 124 0.344 11.615 11.512 1.00 1.14 C ATOM 1878 O HIS A 124 -0.510 11.604 10.647 1.00 2.56 O ATOM 1879 CB HIS A 124 1.911 12.781 9.948 1.00 0.85 C ATOM 1880 CG HIS A 124 1.835 14.254 9.654 1.00 0.83 C ATOM 1881 ND1 HIS A 124 1.626 14.747 8.376 1.00 0.86 N ATOM 1882 CD2 HIS A 124 1.936 15.357 10.467 1.00 1.22 C ATOM 1883 CE1 HIS A 124 1.608 16.090 8.456 1.00 0.78 C ATOM 1884 NE2 HIS A 124 1.792 16.514 9.709 1.00 0.97 N ATOM 0 H HIS A 124 3.080 12.444 12.909 1.00 1.10 H new ATOM 0 HA HIS A 124 1.323 13.494 11.891 1.00 0.88 H new ATOM 0 HB2 HIS A 124 2.913 12.407 9.737 1.00 0.85 H new ATOM 0 HB3 HIS A 124 1.224 12.234 9.303 1.00 0.85 H new ATOM 0 HD1 HIS A 124 1.507 14.192 7.528 1.00 0.86 H new ATOM 0 HD2 HIS A 124 2.102 15.330 11.534 1.00 1.22 H new ATOM 0 HE1 HIS A 124 1.462 16.745 7.610 1.00 0.78 H new ATOM 1892 N GLY A 125 0.261 10.841 12.558 1.00 0.13 N ATOM 1893 CA GLY A 125 -0.897 9.918 12.711 1.00 0.41 C ATOM 1894 C GLY A 125 -1.930 10.538 13.650 1.00 0.21 C ATOM 1895 O GLY A 125 -1.642 11.456 14.389 1.00 0.18 O ATOM 0 H GLY A 125 0.945 10.808 13.314 1.00 0.13 H new ATOM 0 HA2 GLY A 125 -1.348 9.721 11.738 1.00 0.41 H new ATOM 0 HA3 GLY A 125 -0.561 8.960 13.107 1.00 0.41 H new ATOM 1899 N LYS A 126 -3.129 10.038 13.625 1.00 0.26 N ATOM 1900 CA LYS A 126 -4.188 10.576 14.522 1.00 0.09 C ATOM 1901 C LYS A 126 -5.178 9.450 14.826 1.00 0.19 C ATOM 1902 O LYS A 126 -5.597 8.737 13.937 1.00 0.41 O ATOM 1903 CB LYS A 126 -4.917 11.724 13.826 1.00 0.26 C ATOM 1904 CG LYS A 126 -3.927 12.857 13.559 1.00 0.24 C ATOM 1905 CD LYS A 126 -4.690 14.162 13.325 1.00 0.33 C ATOM 1906 CE LYS A 126 -4.506 14.603 11.872 1.00 0.13 C ATOM 1907 NZ LYS A 126 -5.750 15.268 11.392 1.00 0.68 N ATOM 0 H LYS A 126 -3.425 9.274 13.018 1.00 0.26 H new ATOM 0 HA LYS A 126 -3.744 10.948 15.446 1.00 0.09 H new ATOM 0 HB2 LYS A 126 -5.354 11.379 12.889 1.00 0.26 H new ATOM 0 HB3 LYS A 126 -5.738 12.081 14.449 1.00 0.26 H new ATOM 0 HG2 LYS A 126 -3.249 12.967 14.405 1.00 0.24 H new ATOM 0 HG3 LYS A 126 -3.315 12.621 12.688 1.00 0.24 H new ATOM 0 HD2 LYS A 126 -5.749 14.021 13.543 1.00 0.33 H new ATOM 0 HD3 LYS A 126 -4.325 14.936 14.001 1.00 0.33 H new ATOM 0 HE2 LYS A 126 -3.662 15.288 11.793 1.00 0.13 H new ATOM 0 HE3 LYS A 126 -4.277 13.741 11.246 1.00 0.13 H new ATOM 0 HZ1 LYS A 126 -5.624 15.568 10.404 1.00 0.68 H new ATOM 0 HZ2 LYS A 126 -6.546 14.601 11.453 1.00 0.68 H new ATOM 0 HZ3 LYS A 126 -5.949 16.100 11.983 1.00 0.68 H new ATOM 1921 N ILE A 127 -5.564 9.273 16.059 1.00 0.21 N ATOM 1922 CA ILE A 127 -6.526 8.179 16.360 1.00 0.29 C ATOM 1923 C ILE A 127 -7.939 8.738 16.479 1.00 0.24 C ATOM 1924 O ILE A 127 -8.158 9.806 17.014 1.00 0.19 O ATOM 1925 CB ILE A 127 -6.153 7.487 17.666 1.00 0.41 C ATOM 1926 CG1 ILE A 127 -4.862 6.698 17.468 1.00 0.48 C ATOM 1927 CG2 ILE A 127 -7.272 6.519 18.041 1.00 0.52 C ATOM 1928 CD1 ILE A 127 -4.476 6.015 18.784 1.00 0.73 C ATOM 0 H ILE A 127 -5.261 9.829 16.859 1.00 0.21 H new ATOM 0 HA ILE A 127 -6.486 7.457 15.544 1.00 0.29 H new ATOM 0 HB ILE A 127 -6.013 8.228 18.453 1.00 0.41 H new ATOM 0 HG12 ILE A 127 -4.995 5.953 16.684 1.00 0.48 H new ATOM 0 HG13 ILE A 127 -4.062 7.363 17.143 1.00 0.48 H new ATOM 0 HG21 ILE A 127 -7.020 6.015 18.974 1.00 0.52 H new ATOM 0 HG22 ILE A 127 -8.204 7.071 18.167 1.00 0.52 H new ATOM 0 HG23 ILE A 127 -7.393 5.779 17.250 1.00 0.52 H new ATOM 0 HD11 ILE A 127 -3.554 5.451 18.644 1.00 0.73 H new ATOM 0 HD12 ILE A 127 -4.326 6.770 19.556 1.00 0.73 H new ATOM 0 HD13 ILE A 127 -5.273 5.337 19.090 1.00 0.73 H new ATOM 1940 N ARG A 128 -8.903 8.012 15.986 1.00 0.31 N ATOM 1941 CA ARG A 128 -10.314 8.482 16.070 1.00 0.28 C ATOM 1942 C ARG A 128 -11.196 7.343 16.576 1.00 0.41 C ATOM 1943 O ARG A 128 -10.738 6.238 16.788 1.00 0.54 O ATOM 1944 CB ARG A 128 -10.806 8.912 14.688 1.00 0.33 C ATOM 1945 CG ARG A 128 -10.173 10.249 14.307 1.00 0.42 C ATOM 1946 CD ARG A 128 -11.165 11.060 13.470 1.00 0.61 C ATOM 1947 NE ARG A 128 -10.896 10.836 12.021 1.00 1.19 N ATOM 1948 CZ ARG A 128 -11.764 11.231 11.131 1.00 1.56 C ATOM 1949 NH1 ARG A 128 -11.725 12.458 10.688 1.00 2.13 N ATOM 1950 NH2 ARG A 128 -12.670 10.403 10.685 1.00 1.63 N ATOM 0 H ARG A 128 -8.774 7.110 15.527 1.00 0.31 H new ATOM 0 HA ARG A 128 -10.366 9.330 16.753 1.00 0.28 H new ATOM 0 HB2 ARG A 128 -10.549 8.154 13.948 1.00 0.33 H new ATOM 0 HB3 ARG A 128 -11.892 9.001 14.690 1.00 0.33 H new ATOM 0 HG2 ARG A 128 -9.899 10.803 15.205 1.00 0.42 H new ATOM 0 HG3 ARG A 128 -9.255 10.082 13.743 1.00 0.42 H new ATOM 0 HD2 ARG A 128 -12.186 10.765 13.711 1.00 0.61 H new ATOM 0 HD3 ARG A 128 -11.075 12.120 13.707 1.00 0.61 H new ATOM 0 HE ARG A 128 -10.035 10.375 11.726 1.00 1.19 H new ATOM 0 HH11 ARG A 128 -11.018 13.104 11.038 1.00 2.13 H new ATOM 0 HH12 ARG A 128 -12.402 12.771 9.992 1.00 2.13 H new ATOM 0 HH21 ARG A 128 -12.700 9.445 11.033 1.00 1.63 H new ATOM 0 HH22 ARG A 128 -13.347 10.715 9.989 1.00 1.63 H new ATOM 1964 N ASP A 129 -12.458 7.599 16.763 1.00 0.41 N ATOM 1965 CA ASP A 129 -13.370 6.523 17.247 1.00 0.55 C ATOM 1966 C ASP A 129 -14.167 5.963 16.069 1.00 0.67 C ATOM 1967 O ASP A 129 -13.924 4.826 15.701 1.00 1.38 O ATOM 1968 CB ASP A 129 -14.331 7.089 18.296 1.00 0.50 C ATOM 1969 CG ASP A 129 -15.435 6.066 18.577 1.00 0.70 C ATOM 1970 OD1 ASP A 129 -15.157 5.097 19.264 1.00 1.08 O ATOM 1971 OD2 ASP A 129 -16.539 6.270 18.100 1.00 0.64 O ATOM 1972 OXT ASP A 129 -15.010 6.681 15.553 1.00 2.40 O ATOM 0 H ASP A 129 -12.899 8.504 16.603 1.00 0.41 H new ATOM 0 HA ASP A 129 -12.779 5.726 17.698 1.00 0.55 H new ATOM 0 HB2 ASP A 129 -13.791 7.319 19.214 1.00 0.50 H new ATOM 0 HB3 ASP A 129 -14.767 8.023 17.940 1.00 0.50 H new