USER MOD reduce.3.24.130724 H: found=0, std=0, add=735, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 733 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 46 LYS NZ :NH3+ 138:sc= 2.43 (180deg=1.11) USER MOD Set 1.2: A 50 SER OG : rot -132:sc= 0.558 USER MOD Set 1.3: B 12 SER OG : rot 180:sc= 0.0788 USER MOD Set 2.1: A 45 LYS NZ :NH3+ 157:sc= 1.22 (180deg=1.12) USER MOD Set 2.2: A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 178:sc= -0.237! (180deg=-0.461) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0.238 X(o=0.24,f=-0.15) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -131:sc= 0.685 USER MOD Single : A 35 HIS : no HE2:sc= -2.87! C(o=-2.9!,f=-6.2!) USER MOD Single : A 37 LYS NZ :NH3+ 154:sc= 1.3 (180deg=1.18) USER MOD Single : A 39 LYS NZ :NH3+ -158:sc= 1.21 (180deg=1.05) USER MOD Single : A 40 MET CE :methyl 170:sc=-0.00371 (180deg=-0.168) USER MOD Single : A 41 THR OG1 : rot 47:sc= 1.25 USER MOD Single : A 42 THR OG1 : rot -140:sc= 0.111 USER MOD Single : A 43 HIS : no HD1:sc= -0.839 K(o=-0.84,f=-1.7) USER MOD Single : A 48 LYS NZ :NH3+ -166:sc= 2.46 (180deg=2.2) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 68:sc= 1.23 USER MOD Single : A 53 GLN : amide:sc= -2.38! C(o=-2.4!,f=-5.3!) USER MOD Single : A 55 GLN : amide:sc= -0.207 K(o=-0.21,f=-0.79) USER MOD Single : A 60 ASN : amide:sc= -0.281 K(o=-0.28,f=-2.7!) USER MOD Single : A 61 SER OG : rot -75:sc= 1.29 USER MOD Single : A 69 GLN : amide:sc=-0.00884 K(o=-0.0088,f=-0.97) USER MOD Single : A 74 ASN : amide:sc= -0.0661 K(o=-0.066,f=-2.6!) USER MOD Single : A 75 HIS : no HD1:sc= -2.28 X(o=-2.3,f=-2.1!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot -160:sc= 1.23 USER MOD Single : A 92 GLN :FLIP amide:sc= 0 F(o=-0.88,f=0) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0874 USER MOD Single : B 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 8 THR OG1 : rot 180:sc= 0 USER MOD Single : B 11 SER OG : rot 180:sc= 0.00195 USER MOD Single : B 13 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 21 0.724 -9.824 6.727 1.00 2.10 N ATOM 2 CA TYR A 21 1.072 -9.213 5.425 1.00 1.86 C ATOM 3 C TYR A 21 2.443 -8.557 5.517 1.00 1.78 C ATOM 4 O TYR A 21 2.820 -8.051 6.571 1.00 1.85 O ATOM 5 CB TYR A 21 -0.001 -8.199 5.006 1.00 1.79 C ATOM 6 CG TYR A 21 -1.337 -8.843 4.709 1.00 1.93 C ATOM 7 CD1 TYR A 21 -2.252 -9.094 5.723 1.00 2.36 C ATOM 8 CD2 TYR A 21 -1.676 -9.220 3.416 1.00 2.26 C ATOM 9 CE1 TYR A 21 -3.463 -9.703 5.460 1.00 2.52 C ATOM 10 CE2 TYR A 21 -2.888 -9.824 3.144 1.00 2.53 C ATOM 11 CZ TYR A 21 -3.774 -10.066 4.168 1.00 2.41 C ATOM 12 OH TYR A 21 -4.978 -10.674 3.899 1.00 2.72 O ATOM 0 HA TYR A 21 1.111 -9.990 4.661 1.00 1.86 H new ATOM 0 HB2 TYR A 21 -0.127 -7.463 5.800 1.00 1.79 H new ATOM 0 HB3 TYR A 21 0.341 -7.660 4.122 1.00 1.79 H new ATOM 0 HD1 TYR A 21 -2.012 -8.808 6.736 1.00 2.36 H new ATOM 0 HD2 TYR A 21 -0.981 -9.038 2.610 1.00 2.26 H new ATOM 0 HE1 TYR A 21 -4.161 -9.893 6.261 1.00 2.52 H new ATOM 0 HE2 TYR A 21 -3.139 -10.105 2.132 1.00 2.53 H new ATOM 0 HH TYR A 21 -5.041 -10.864 2.940 1.00 2.72 H new ATOM 22 N ILE A 22 3.181 -8.571 4.416 1.00 1.66 N ATOM 23 CA ILE A 22 4.524 -8.004 4.391 1.00 1.60 C ATOM 24 C ILE A 22 4.510 -6.551 3.935 1.00 1.48 C ATOM 25 O ILE A 22 3.888 -6.207 2.932 1.00 1.43 O ATOM 26 CB ILE A 22 5.460 -8.818 3.463 1.00 1.60 C ATOM 27 CG1 ILE A 22 5.557 -10.270 3.945 1.00 1.81 C ATOM 28 CG2 ILE A 22 6.847 -8.185 3.393 1.00 1.58 C ATOM 29 CD1 ILE A 22 6.100 -10.411 5.350 1.00 1.99 C ATOM 0 H ILE A 22 2.874 -8.968 3.528 1.00 1.66 H new ATOM 0 HA ILE A 22 4.902 -8.050 5.412 1.00 1.60 H new ATOM 0 HB ILE A 22 5.035 -8.810 2.460 1.00 1.60 H new ATOM 0 HG12 ILE A 22 4.567 -10.725 3.900 1.00 1.81 H new ATOM 0 HG13 ILE A 22 6.196 -10.828 3.261 1.00 1.81 H new ATOM 0 HG21 ILE A 22 7.484 -8.776 2.735 1.00 1.58 H new ATOM 0 HG22 ILE A 22 6.765 -7.171 3.003 1.00 1.58 H new ATOM 0 HG23 ILE A 22 7.284 -8.156 4.391 1.00 1.58 H new ATOM 0 HD11 ILE A 22 6.139 -11.466 5.621 1.00 1.99 H new ATOM 0 HD12 ILE A 22 7.103 -9.987 5.397 1.00 1.99 H new ATOM 0 HD13 ILE A 22 5.450 -9.882 6.046 1.00 1.99 H new ATOM 41 N LYS A 23 5.192 -5.702 4.681 1.00 1.47 N ATOM 42 CA LYS A 23 5.275 -4.294 4.348 1.00 1.39 C ATOM 43 C LYS A 23 6.692 -3.954 3.899 1.00 1.34 C ATOM 44 O LYS A 23 7.652 -4.114 4.655 1.00 1.48 O ATOM 45 CB LYS A 23 4.865 -3.449 5.553 1.00 1.51 C ATOM 46 CG LYS A 23 4.993 -1.951 5.336 1.00 1.98 C ATOM 47 CD LYS A 23 4.581 -1.172 6.576 1.00 2.61 C ATOM 48 CE LYS A 23 5.764 -0.894 7.492 1.00 3.07 C ATOM 49 NZ LYS A 23 6.322 -2.131 8.100 1.00 2.83 N ATOM 0 H LYS A 23 5.699 -5.966 5.526 1.00 1.47 H new ATOM 0 HA LYS A 23 4.592 -4.073 3.528 1.00 1.39 H new ATOM 0 HB2 LYS A 23 3.831 -3.680 5.810 1.00 1.51 H new ATOM 0 HB3 LYS A 23 5.478 -3.735 6.408 1.00 1.51 H new ATOM 0 HG2 LYS A 23 6.023 -1.706 5.077 1.00 1.98 H new ATOM 0 HG3 LYS A 23 4.372 -1.650 4.492 1.00 1.98 H new ATOM 0 HD2 LYS A 23 4.124 -0.229 6.277 1.00 2.61 H new ATOM 0 HD3 LYS A 23 3.823 -1.734 7.122 1.00 2.61 H new ATOM 0 HE2 LYS A 23 6.546 -0.388 6.926 1.00 3.07 H new ATOM 0 HE3 LYS A 23 5.453 -0.213 8.284 1.00 3.07 H new ATOM 0 HZ1 LYS A 23 7.145 -1.888 8.687 1.00 2.83 H new ATOM 0 HZ2 LYS A 23 5.597 -2.585 8.691 1.00 2.83 H new ATOM 0 HZ3 LYS A 23 6.615 -2.786 7.347 1.00 2.83 H new ATOM 63 N LEU A 24 6.813 -3.498 2.665 1.00 1.21 N ATOM 64 CA LEU A 24 8.107 -3.142 2.100 1.00 1.21 C ATOM 65 C LEU A 24 8.302 -1.633 2.115 1.00 1.21 C ATOM 66 O LEU A 24 7.334 -0.875 2.054 1.00 1.15 O ATOM 67 CB LEU A 24 8.227 -3.660 0.664 1.00 1.15 C ATOM 68 CG LEU A 24 8.050 -5.170 0.496 1.00 1.18 C ATOM 69 CD1 LEU A 24 8.046 -5.545 -0.977 1.00 1.15 C ATOM 70 CD2 LEU A 24 9.146 -5.925 1.232 1.00 1.36 C ATOM 0 H LEU A 24 6.026 -3.364 2.030 1.00 1.21 H new ATOM 0 HA LEU A 24 8.880 -3.606 2.712 1.00 1.21 H new ATOM 0 HB2 LEU A 24 7.483 -3.153 0.049 1.00 1.15 H new ATOM 0 HB3 LEU A 24 9.206 -3.380 0.275 1.00 1.15 H new ATOM 0 HG LEU A 24 7.090 -5.451 0.928 1.00 1.18 H new ATOM 0 HD11 LEU A 24 7.919 -6.623 -1.078 1.00 1.15 H new ATOM 0 HD12 LEU A 24 7.225 -5.034 -1.480 1.00 1.15 H new ATOM 0 HD13 LEU A 24 8.991 -5.247 -1.431 1.00 1.15 H new ATOM 0 HD21 LEU A 24 9.001 -6.997 1.100 1.00 1.36 H new ATOM 0 HD22 LEU A 24 10.118 -5.638 0.831 1.00 1.36 H new ATOM 0 HD23 LEU A 24 9.105 -5.682 2.294 1.00 1.36 H new ATOM 82 N LYS A 25 9.546 -1.206 2.221 1.00 1.36 N ATOM 83 CA LYS A 25 9.871 0.211 2.230 1.00 1.42 C ATOM 84 C LYS A 25 10.433 0.610 0.872 1.00 1.43 C ATOM 85 O LYS A 25 11.532 0.197 0.498 1.00 1.55 O ATOM 86 CB LYS A 25 10.882 0.526 3.336 1.00 1.62 C ATOM 87 CG LYS A 25 10.555 -0.140 4.663 1.00 1.51 C ATOM 88 CD LYS A 25 11.365 0.448 5.803 1.00 1.67 C ATOM 89 CE LYS A 25 10.841 1.815 6.212 1.00 2.04 C ATOM 90 NZ LYS A 25 11.605 2.383 7.348 1.00 2.70 N ATOM 0 H LYS A 25 10.354 -1.823 2.303 1.00 1.36 H new ATOM 0 HA LYS A 25 8.964 0.782 2.428 1.00 1.42 H new ATOM 0 HB2 LYS A 25 11.873 0.208 3.013 1.00 1.62 H new ATOM 0 HB3 LYS A 25 10.926 1.605 3.481 1.00 1.62 H new ATOM 0 HG2 LYS A 25 9.492 -0.025 4.875 1.00 1.51 H new ATOM 0 HG3 LYS A 25 10.752 -1.210 4.591 1.00 1.51 H new ATOM 0 HD2 LYS A 25 11.333 -0.226 6.659 1.00 1.67 H new ATOM 0 HD3 LYS A 25 12.409 0.532 5.503 1.00 1.67 H new ATOM 0 HE2 LYS A 25 10.897 2.494 5.361 1.00 2.04 H new ATOM 0 HE3 LYS A 25 9.789 1.733 6.487 1.00 2.04 H new ATOM 0 HZ1 LYS A 25 11.216 3.315 7.596 1.00 2.70 H new ATOM 0 HZ2 LYS A 25 11.531 1.748 8.168 1.00 2.70 H new ATOM 0 HZ3 LYS A 25 12.604 2.485 7.078 1.00 2.70 H new ATOM 104 N VAL A 26 9.667 1.392 0.128 1.00 1.35 N ATOM 105 CA VAL A 26 10.082 1.837 -1.189 1.00 1.41 C ATOM 106 C VAL A 26 10.876 3.129 -1.089 1.00 1.60 C ATOM 107 O VAL A 26 10.408 4.112 -0.510 1.00 1.62 O ATOM 108 CB VAL A 26 8.880 2.052 -2.132 1.00 1.32 C ATOM 109 CG1 VAL A 26 9.338 2.080 -3.580 1.00 1.46 C ATOM 110 CG2 VAL A 26 7.825 0.973 -1.925 1.00 1.13 C ATOM 0 H VAL A 26 8.750 1.732 0.418 1.00 1.35 H new ATOM 0 HA VAL A 26 10.708 1.049 -1.607 1.00 1.41 H new ATOM 0 HB VAL A 26 8.429 3.015 -1.893 1.00 1.32 H new ATOM 0 HG11 VAL A 26 8.477 2.232 -4.231 1.00 1.46 H new ATOM 0 HG12 VAL A 26 10.049 2.894 -3.721 1.00 1.46 H new ATOM 0 HG13 VAL A 26 9.817 1.133 -3.828 1.00 1.46 H new ATOM 0 HG21 VAL A 26 6.988 1.148 -2.602 1.00 1.13 H new ATOM 0 HG22 VAL A 26 8.260 -0.005 -2.130 1.00 1.13 H new ATOM 0 HG23 VAL A 26 7.471 1.003 -0.895 1.00 1.13 H new ATOM 120 N ILE A 27 12.076 3.115 -1.645 1.00 1.78 N ATOM 121 CA ILE A 27 12.948 4.278 -1.626 1.00 1.99 C ATOM 122 C ILE A 27 13.143 4.826 -3.035 1.00 2.13 C ATOM 123 O ILE A 27 13.561 4.105 -3.946 1.00 2.21 O ATOM 124 CB ILE A 27 14.326 3.944 -1.010 1.00 2.15 C ATOM 125 CG1 ILE A 27 14.167 3.435 0.427 1.00 2.07 C ATOM 126 CG2 ILE A 27 15.248 5.156 -1.049 1.00 2.39 C ATOM 127 CD1 ILE A 27 13.656 4.478 1.403 1.00 2.07 C ATOM 0 H ILE A 27 12.471 2.303 -2.119 1.00 1.78 H new ATOM 0 HA ILE A 27 12.465 5.033 -1.006 1.00 1.99 H new ATOM 0 HB ILE A 27 14.780 3.153 -1.607 1.00 2.15 H new ATOM 0 HG12 ILE A 27 13.482 2.587 0.427 1.00 2.07 H new ATOM 0 HG13 ILE A 27 15.130 3.066 0.779 1.00 2.07 H new ATOM 0 HG21 ILE A 27 16.211 4.895 -0.610 1.00 2.39 H new ATOM 0 HG22 ILE A 27 15.394 5.469 -2.083 1.00 2.39 H new ATOM 0 HG23 ILE A 27 14.800 5.972 -0.482 1.00 2.39 H new ATOM 0 HD11 ILE A 27 13.572 4.037 2.396 1.00 2.07 H new ATOM 0 HD12 ILE A 27 14.351 5.317 1.436 1.00 2.07 H new ATOM 0 HD13 ILE A 27 12.677 4.831 1.079 1.00 2.07 H new ATOM 139 N GLY A 28 12.825 6.099 -3.212 1.00 2.21 N ATOM 140 CA GLY A 28 12.977 6.731 -4.505 1.00 2.40 C ATOM 141 C GLY A 28 14.336 7.381 -4.659 1.00 2.63 C ATOM 142 O GLY A 28 15.131 7.396 -3.717 1.00 2.64 O ATOM 0 H GLY A 28 12.462 6.708 -2.479 1.00 2.21 H new ATOM 0 HA2 GLY A 28 12.839 5.988 -5.291 1.00 2.40 H new ATOM 0 HA3 GLY A 28 12.198 7.482 -4.636 1.00 2.40 H new ATOM 146 N GLN A 29 14.594 7.945 -5.830 1.00 2.84 N ATOM 147 CA GLN A 29 15.876 8.583 -6.110 1.00 3.07 C ATOM 148 C GLN A 29 16.043 9.870 -5.305 1.00 3.11 C ATOM 149 O GLN A 29 17.165 10.258 -4.973 1.00 3.26 O ATOM 150 CB GLN A 29 16.011 8.871 -7.609 1.00 3.28 C ATOM 151 CG GLN A 29 17.378 9.405 -8.023 1.00 3.53 C ATOM 152 CD GLN A 29 18.513 8.453 -7.687 1.00 3.59 C ATOM 153 OE1 GLN A 29 18.920 7.635 -8.509 1.00 3.73 O ATOM 154 NE2 GLN A 29 19.028 8.555 -6.471 1.00 3.52 N ATOM 0 H GLN A 29 13.931 7.975 -6.605 1.00 2.84 H new ATOM 0 HA GLN A 29 16.666 7.895 -5.809 1.00 3.07 H new ATOM 0 HB2 GLN A 29 15.809 7.954 -8.163 1.00 3.28 H new ATOM 0 HB3 GLN A 29 15.248 9.594 -7.899 1.00 3.28 H new ATOM 0 HG2 GLN A 29 17.377 9.597 -9.096 1.00 3.53 H new ATOM 0 HG3 GLN A 29 17.554 10.360 -7.529 1.00 3.53 H new ATOM 0 HE21 GLN A 29 18.661 9.248 -5.818 1.00 3.52 H new ATOM 0 HE22 GLN A 29 19.791 7.941 -6.187 1.00 3.52 H new ATOM 163 N ASP A 30 14.933 10.514 -4.968 1.00 3.01 N ATOM 164 CA ASP A 30 14.975 11.755 -4.198 1.00 3.07 C ATOM 165 C ASP A 30 14.956 11.468 -2.698 1.00 2.98 C ATOM 166 O ASP A 30 14.529 12.304 -1.903 1.00 3.01 O ATOM 167 CB ASP A 30 13.809 12.680 -4.586 1.00 3.06 C ATOM 168 CG ASP A 30 12.445 12.143 -4.189 1.00 2.89 C ATOM 169 OD1 ASP A 30 12.075 11.046 -4.654 1.00 2.77 O ATOM 170 OD2 ASP A 30 11.723 12.829 -3.430 1.00 2.90 O ATOM 0 H ASP A 30 13.994 10.200 -5.214 1.00 3.01 H new ATOM 0 HA ASP A 30 15.909 12.264 -4.435 1.00 3.07 H new ATOM 0 HB2 ASP A 30 13.957 13.653 -4.117 1.00 3.06 H new ATOM 0 HB3 ASP A 30 13.827 12.840 -5.664 1.00 3.06 H new ATOM 175 N SER A 31 15.445 10.286 -2.324 1.00 2.89 N ATOM 176 CA SER A 31 15.497 9.861 -0.926 1.00 2.82 C ATOM 177 C SER A 31 14.094 9.783 -0.331 1.00 2.62 C ATOM 178 O SER A 31 13.885 10.049 0.855 1.00 2.65 O ATOM 179 CB SER A 31 16.377 10.814 -0.109 1.00 3.05 C ATOM 180 OG SER A 31 17.655 10.967 -0.708 1.00 3.25 O ATOM 0 H SER A 31 15.815 9.598 -2.980 1.00 2.89 H new ATOM 0 HA SER A 31 15.938 8.865 -0.887 1.00 2.82 H new ATOM 0 HB2 SER A 31 15.890 11.786 -0.030 1.00 3.05 H new ATOM 0 HB3 SER A 31 16.490 10.430 0.905 1.00 3.05 H new ATOM 0 HG SER A 31 18.197 11.581 -0.170 1.00 3.25 H new ATOM 186 N SER A 32 13.140 9.390 -1.158 1.00 2.47 N ATOM 187 CA SER A 32 11.757 9.275 -0.733 1.00 2.32 C ATOM 188 C SER A 32 11.517 7.926 -0.074 1.00 2.11 C ATOM 189 O SER A 32 12.166 6.938 -0.414 1.00 2.13 O ATOM 190 CB SER A 32 10.842 9.445 -1.940 1.00 2.33 C ATOM 191 OG SER A 32 11.520 9.068 -3.127 1.00 2.38 O ATOM 0 H SER A 32 13.301 9.144 -2.135 1.00 2.47 H new ATOM 0 HA SER A 32 11.539 10.055 -0.004 1.00 2.32 H new ATOM 0 HB2 SER A 32 9.947 8.836 -1.815 1.00 2.33 H new ATOM 0 HB3 SER A 32 10.514 10.482 -2.014 1.00 2.33 H new ATOM 0 HG SER A 32 11.410 9.769 -3.803 1.00 2.38 H new ATOM 197 N GLU A 33 10.599 7.896 0.874 1.00 2.01 N ATOM 198 CA GLU A 33 10.280 6.674 1.588 1.00 1.87 C ATOM 199 C GLU A 33 8.773 6.466 1.626 1.00 1.79 C ATOM 200 O GLU A 33 8.031 7.317 2.120 1.00 2.00 O ATOM 201 CB GLU A 33 10.852 6.734 3.007 1.00 1.98 C ATOM 202 CG GLU A 33 10.642 5.466 3.816 1.00 2.57 C ATOM 203 CD GLU A 33 11.368 5.506 5.143 1.00 2.75 C ATOM 204 OE1 GLU A 33 10.887 6.188 6.071 1.00 2.99 O ATOM 205 OE2 GLU A 33 12.417 4.845 5.275 1.00 2.98 O ATOM 0 H GLU A 33 10.058 8.709 1.169 1.00 2.01 H new ATOM 0 HA GLU A 33 10.730 5.829 1.067 1.00 1.87 H new ATOM 0 HB2 GLU A 33 11.920 6.941 2.948 1.00 1.98 H new ATOM 0 HB3 GLU A 33 10.394 7.570 3.536 1.00 1.98 H new ATOM 0 HG2 GLU A 33 9.576 5.322 3.992 1.00 2.57 H new ATOM 0 HG3 GLU A 33 10.989 4.608 3.240 1.00 2.57 H new ATOM 212 N ILE A 34 8.325 5.355 1.066 1.00 1.58 N ATOM 213 CA ILE A 34 6.911 5.019 1.047 1.00 1.50 C ATOM 214 C ILE A 34 6.728 3.580 1.509 1.00 1.38 C ATOM 215 O ILE A 34 7.521 2.704 1.158 1.00 1.31 O ATOM 216 CB ILE A 34 6.289 5.171 -0.365 1.00 1.46 C ATOM 217 CG1 ILE A 34 6.711 6.496 -1.020 1.00 1.71 C ATOM 218 CG2 ILE A 34 4.769 5.074 -0.284 1.00 1.41 C ATOM 219 CD1 ILE A 34 5.928 7.701 -0.542 1.00 1.81 C ATOM 0 H ILE A 34 8.926 4.665 0.615 1.00 1.58 H new ATOM 0 HA ILE A 34 6.402 5.713 1.716 1.00 1.50 H new ATOM 0 HB ILE A 34 6.661 4.358 -0.989 1.00 1.46 H new ATOM 0 HG12 ILE A 34 7.770 6.664 -0.825 1.00 1.71 H new ATOM 0 HG13 ILE A 34 6.596 6.407 -2.100 1.00 1.71 H new ATOM 0 HG21 ILE A 34 4.344 5.182 -1.282 1.00 1.41 H new ATOM 0 HG22 ILE A 34 4.488 4.104 0.127 1.00 1.41 H new ATOM 0 HG23 ILE A 34 4.388 5.866 0.361 1.00 1.41 H new ATOM 0 HD11 ILE A 34 6.287 8.594 -1.053 1.00 1.81 H new ATOM 0 HD12 ILE A 34 4.870 7.558 -0.762 1.00 1.81 H new ATOM 0 HD13 ILE A 34 6.062 7.819 0.533 1.00 1.81 H new ATOM 231 N HIS A 35 5.704 3.333 2.306 1.00 1.41 N ATOM 232 CA HIS A 35 5.439 1.989 2.783 1.00 1.33 C ATOM 233 C HIS A 35 4.525 1.273 1.800 1.00 1.23 C ATOM 234 O HIS A 35 3.603 1.870 1.244 1.00 1.29 O ATOM 235 CB HIS A 35 4.816 2.014 4.181 1.00 1.46 C ATOM 236 CG HIS A 35 5.822 2.136 5.285 1.00 1.58 C ATOM 237 ND1 HIS A 35 5.536 2.655 6.530 1.00 1.91 N ATOM 238 CD2 HIS A 35 7.129 1.775 5.322 1.00 1.83 C ATOM 239 CE1 HIS A 35 6.653 2.603 7.263 1.00 2.04 C ATOM 240 NE2 HIS A 35 7.649 2.075 6.578 1.00 2.02 N ATOM 0 H HIS A 35 5.047 4.040 2.634 1.00 1.41 H new ATOM 0 HA HIS A 35 6.383 1.449 2.854 1.00 1.33 H new ATOM 0 HB2 HIS A 35 4.118 2.849 4.243 1.00 1.46 H new ATOM 0 HB3 HIS A 35 4.237 1.102 4.328 1.00 1.46 H new ATOM 0 HD1 HIS A 35 4.632 3.015 6.837 1.00 1.91 H new ATOM 0 HD2 HIS A 35 7.678 1.327 4.507 1.00 1.83 H new ATOM 0 HE1 HIS A 35 6.730 2.948 8.283 1.00 2.04 H new ATOM 248 N PHE A 36 4.791 0.004 1.566 1.00 1.15 N ATOM 249 CA PHE A 36 3.997 -0.768 0.632 1.00 1.06 C ATOM 250 C PHE A 36 3.504 -2.056 1.268 1.00 1.12 C ATOM 251 O PHE A 36 4.284 -2.979 1.500 1.00 1.18 O ATOM 252 CB PHE A 36 4.835 -1.092 -0.612 1.00 0.98 C ATOM 253 CG PHE A 36 4.056 -1.177 -1.894 1.00 0.94 C ATOM 254 CD1 PHE A 36 2.682 -1.356 -1.889 1.00 1.06 C ATOM 255 CD2 PHE A 36 4.707 -1.076 -3.111 1.00 1.25 C ATOM 256 CE1 PHE A 36 1.977 -1.432 -3.072 1.00 1.30 C ATOM 257 CE2 PHE A 36 4.009 -1.153 -4.297 1.00 1.53 C ATOM 258 CZ PHE A 36 2.641 -1.329 -4.278 1.00 1.49 C ATOM 0 H PHE A 36 5.550 -0.514 2.009 1.00 1.15 H new ATOM 0 HA PHE A 36 3.129 -0.174 0.347 1.00 1.06 H new ATOM 0 HB2 PHE A 36 5.606 -0.329 -0.722 1.00 0.98 H new ATOM 0 HB3 PHE A 36 5.346 -2.041 -0.451 1.00 0.98 H new ATOM 0 HD1 PHE A 36 2.157 -1.437 -0.948 1.00 1.06 H new ATOM 0 HD2 PHE A 36 5.778 -0.935 -3.132 1.00 1.25 H new ATOM 0 HE1 PHE A 36 0.906 -1.572 -3.055 1.00 1.30 H new ATOM 0 HE2 PHE A 36 4.532 -1.076 -5.239 1.00 1.53 H new ATOM 0 HZ PHE A 36 2.090 -1.386 -5.205 1.00 1.49 H new ATOM 268 N LYS A 37 2.217 -2.097 1.580 1.00 1.21 N ATOM 269 CA LYS A 37 1.611 -3.289 2.157 1.00 1.34 C ATOM 270 C LYS A 37 1.335 -4.309 1.058 1.00 1.28 C ATOM 271 O LYS A 37 0.379 -4.162 0.290 1.00 1.35 O ATOM 272 CB LYS A 37 0.308 -2.935 2.877 1.00 1.57 C ATOM 273 CG LYS A 37 0.221 -3.480 4.292 1.00 1.77 C ATOM 274 CD LYS A 37 -1.056 -3.020 4.979 1.00 2.07 C ATOM 275 CE LYS A 37 -0.975 -1.560 5.395 1.00 2.14 C ATOM 276 NZ LYS A 37 -2.315 -1.002 5.719 1.00 2.40 N ATOM 0 H LYS A 37 1.572 -1.319 1.444 1.00 1.21 H new ATOM 0 HA LYS A 37 2.303 -3.716 2.883 1.00 1.34 H new ATOM 0 HB2 LYS A 37 0.205 -1.850 2.909 1.00 1.57 H new ATOM 0 HB3 LYS A 37 -0.532 -3.319 2.298 1.00 1.57 H new ATOM 0 HG2 LYS A 37 0.252 -4.569 4.268 1.00 1.77 H new ATOM 0 HG3 LYS A 37 1.086 -3.149 4.866 1.00 1.77 H new ATOM 0 HD2 LYS A 37 -1.902 -3.161 4.306 1.00 2.07 H new ATOM 0 HD3 LYS A 37 -1.240 -3.639 5.857 1.00 2.07 H new ATOM 0 HE2 LYS A 37 -0.322 -1.465 6.263 1.00 2.14 H new ATOM 0 HE3 LYS A 37 -0.524 -0.978 4.592 1.00 2.14 H new ATOM 0 HZ1 LYS A 37 -2.210 -0.212 6.387 1.00 2.40 H new ATOM 0 HZ2 LYS A 37 -2.769 -0.660 4.848 1.00 2.40 H new ATOM 0 HZ3 LYS A 37 -2.905 -1.743 6.149 1.00 2.40 H new ATOM 290 N VAL A 38 2.171 -5.333 0.980 1.00 1.24 N ATOM 291 CA VAL A 38 2.026 -6.360 -0.039 1.00 1.25 C ATOM 292 C VAL A 38 1.561 -7.681 0.570 1.00 1.39 C ATOM 293 O VAL A 38 1.699 -7.910 1.776 1.00 1.48 O ATOM 294 CB VAL A 38 3.352 -6.584 -0.814 1.00 1.19 C ATOM 295 CG1 VAL A 38 3.988 -5.251 -1.185 1.00 1.57 C ATOM 296 CG2 VAL A 38 4.332 -7.433 -0.012 1.00 1.27 C ATOM 0 H VAL A 38 2.959 -5.475 1.612 1.00 1.24 H new ATOM 0 HA VAL A 38 1.269 -6.007 -0.739 1.00 1.25 H new ATOM 0 HB VAL A 38 3.111 -7.126 -1.729 1.00 1.19 H new ATOM 0 HG11 VAL A 38 4.916 -5.429 -1.728 1.00 1.57 H new ATOM 0 HG12 VAL A 38 3.303 -4.684 -1.815 1.00 1.57 H new ATOM 0 HG13 VAL A 38 4.201 -4.685 -0.278 1.00 1.57 H new ATOM 0 HG21 VAL A 38 5.249 -7.569 -0.585 1.00 1.27 H new ATOM 0 HG22 VAL A 38 4.563 -6.932 0.928 1.00 1.27 H new ATOM 0 HG23 VAL A 38 3.886 -8.406 0.195 1.00 1.27 H new ATOM 306 N LYS A 39 1.004 -8.540 -0.264 1.00 1.43 N ATOM 307 CA LYS A 39 0.527 -9.838 0.182 1.00 1.60 C ATOM 308 C LYS A 39 1.494 -10.926 -0.260 1.00 1.60 C ATOM 309 O LYS A 39 1.825 -11.026 -1.442 1.00 1.49 O ATOM 310 CB LYS A 39 -0.874 -10.127 -0.374 1.00 1.69 C ATOM 311 CG LYS A 39 -1.400 -11.510 -0.019 1.00 2.00 C ATOM 312 CD LYS A 39 -2.724 -11.800 -0.702 1.00 2.35 C ATOM 313 CE LYS A 39 -3.307 -13.124 -0.236 1.00 2.74 C ATOM 314 NZ LYS A 39 -4.698 -13.327 -0.715 1.00 3.20 N ATOM 0 H LYS A 39 0.870 -8.362 -1.259 1.00 1.43 H new ATOM 0 HA LYS A 39 0.469 -9.826 1.270 1.00 1.60 H new ATOM 0 HB2 LYS A 39 -1.567 -9.376 0.005 1.00 1.69 H new ATOM 0 HB3 LYS A 39 -0.853 -10.023 -1.459 1.00 1.69 H new ATOM 0 HG2 LYS A 39 -0.668 -12.263 -0.310 1.00 2.00 H new ATOM 0 HG3 LYS A 39 -1.524 -11.586 1.061 1.00 2.00 H new ATOM 0 HD2 LYS A 39 -3.429 -10.996 -0.491 1.00 2.35 H new ATOM 0 HD3 LYS A 39 -2.581 -11.823 -1.782 1.00 2.35 H new ATOM 0 HE2 LYS A 39 -2.679 -13.941 -0.593 1.00 2.74 H new ATOM 0 HE3 LYS A 39 -3.291 -13.162 0.853 1.00 2.74 H new ATOM 0 HZ1 LYS A 39 -5.179 -14.016 -0.102 1.00 3.20 H new ATOM 0 HZ2 LYS A 39 -5.210 -12.422 -0.687 1.00 3.20 H new ATOM 0 HZ3 LYS A 39 -4.680 -13.685 -1.691 1.00 3.20 H new ATOM 328 N MET A 40 1.952 -11.734 0.685 1.00 1.76 N ATOM 329 CA MET A 40 2.870 -12.814 0.367 1.00 1.82 C ATOM 330 C MET A 40 2.093 -13.956 -0.274 1.00 1.89 C ATOM 331 O MET A 40 1.689 -14.902 0.399 1.00 2.06 O ATOM 332 CB MET A 40 3.593 -13.291 1.629 1.00 2.01 C ATOM 333 CG MET A 40 4.722 -14.270 1.356 1.00 1.99 C ATOM 334 SD MET A 40 5.705 -14.621 2.827 1.00 2.53 S ATOM 335 CE MET A 40 4.515 -15.507 3.831 1.00 3.01 C ATOM 0 H MET A 40 1.704 -11.662 1.672 1.00 1.76 H new ATOM 0 HA MET A 40 3.624 -12.456 -0.334 1.00 1.82 H new ATOM 0 HB2 MET A 40 3.995 -12.425 2.155 1.00 2.01 H new ATOM 0 HB3 MET A 40 2.870 -13.762 2.295 1.00 2.01 H new ATOM 0 HG2 MET A 40 4.306 -15.201 0.971 1.00 1.99 H new ATOM 0 HG3 MET A 40 5.370 -13.865 0.579 1.00 1.99 H new ATOM 0 HE1 MET A 40 5.020 -15.944 4.693 1.00 3.01 H new ATOM 0 HE2 MET A 40 3.743 -14.818 4.174 1.00 3.01 H new ATOM 0 HE3 MET A 40 4.057 -16.299 3.238 1.00 3.01 H new ATOM 345 N THR A 41 1.906 -13.831 -1.584 1.00 1.77 N ATOM 346 CA THR A 41 1.176 -14.787 -2.418 1.00 1.85 C ATOM 347 C THR A 41 0.942 -14.143 -3.788 1.00 1.77 C ATOM 348 O THR A 41 1.015 -14.800 -4.830 1.00 1.92 O ATOM 349 CB THR A 41 -0.188 -15.201 -1.792 1.00 1.99 C ATOM 350 OG1 THR A 41 0.000 -16.275 -0.861 1.00 2.21 O ATOM 351 CG2 THR A 41 -1.195 -15.632 -2.850 1.00 2.21 C ATOM 0 H THR A 41 2.268 -13.038 -2.113 1.00 1.77 H new ATOM 0 HA THR A 41 1.772 -15.695 -2.505 1.00 1.85 H new ATOM 0 HB THR A 41 -0.584 -14.324 -1.280 1.00 1.99 H new ATOM 0 HG1 THR A 41 0.752 -16.066 -0.268 1.00 2.21 H new ATOM 0 HG21 THR A 41 -2.132 -15.912 -2.368 1.00 2.21 H new ATOM 0 HG22 THR A 41 -1.374 -14.807 -3.539 1.00 2.21 H new ATOM 0 HG23 THR A 41 -0.801 -16.486 -3.401 1.00 2.21 H new ATOM 359 N THR A 42 0.695 -12.837 -3.764 1.00 1.62 N ATOM 360 CA THR A 42 0.455 -12.071 -4.975 1.00 1.60 C ATOM 361 C THR A 42 1.765 -11.810 -5.714 1.00 1.48 C ATOM 362 O THR A 42 2.815 -11.648 -5.088 1.00 1.35 O ATOM 363 CB THR A 42 -0.217 -10.726 -4.628 1.00 1.58 C ATOM 364 OG1 THR A 42 -1.171 -10.923 -3.574 1.00 1.63 O ATOM 365 CG2 THR A 42 -0.915 -10.125 -5.838 1.00 1.75 C ATOM 0 H THR A 42 0.656 -12.285 -2.907 1.00 1.62 H new ATOM 0 HA THR A 42 -0.206 -12.650 -5.620 1.00 1.60 H new ATOM 0 HB THR A 42 0.560 -10.033 -4.305 1.00 1.58 H new ATOM 0 HG1 THR A 42 -1.968 -10.380 -3.748 1.00 1.63 H new ATOM 0 HG21 THR A 42 -1.378 -9.178 -5.558 1.00 1.75 H new ATOM 0 HG22 THR A 42 -0.186 -9.953 -6.630 1.00 1.75 H new ATOM 0 HG23 THR A 42 -1.682 -10.812 -6.194 1.00 1.75 H new ATOM 373 N HIS A 43 1.701 -11.791 -7.041 1.00 1.61 N ATOM 374 CA HIS A 43 2.882 -11.552 -7.857 1.00 1.65 C ATOM 375 C HIS A 43 3.347 -10.112 -7.721 1.00 1.48 C ATOM 376 O HIS A 43 2.536 -9.202 -7.535 1.00 1.33 O ATOM 377 CB HIS A 43 2.600 -11.877 -9.325 1.00 1.90 C ATOM 378 CG HIS A 43 3.093 -13.228 -9.736 1.00 1.95 C ATOM 379 ND1 HIS A 43 3.858 -13.459 -10.854 1.00 2.43 N ATOM 380 CD2 HIS A 43 2.915 -14.436 -9.147 1.00 2.01 C ATOM 381 CE1 HIS A 43 4.121 -14.771 -10.909 1.00 2.36 C ATOM 382 NE2 HIS A 43 3.570 -15.409 -9.895 1.00 2.09 N ATOM 0 H HIS A 43 0.843 -11.938 -7.573 1.00 1.61 H new ATOM 0 HA HIS A 43 3.676 -12.209 -7.501 1.00 1.65 H new ATOM 0 HB2 HIS A 43 1.526 -11.820 -9.503 1.00 1.90 H new ATOM 0 HB3 HIS A 43 3.068 -11.120 -9.954 1.00 1.90 H new ATOM 0 HD2 HIS A 43 2.354 -14.615 -8.241 1.00 2.01 H new ATOM 0 HE1 HIS A 43 4.708 -15.244 -11.682 1.00 2.36 H new ATOM 0 HE2 HIS A 43 3.615 -16.409 -9.700 1.00 2.09 H new ATOM 390 N LEU A 44 4.652 -9.908 -7.834 1.00 1.56 N ATOM 391 CA LEU A 44 5.234 -8.580 -7.714 1.00 1.47 C ATOM 392 C LEU A 44 4.798 -7.676 -8.866 1.00 1.45 C ATOM 393 O LEU A 44 4.950 -6.456 -8.799 1.00 1.45 O ATOM 394 CB LEU A 44 6.760 -8.677 -7.633 1.00 1.65 C ATOM 395 CG LEU A 44 7.289 -9.409 -6.394 1.00 1.77 C ATOM 396 CD1 LEU A 44 8.804 -9.515 -6.429 1.00 1.89 C ATOM 397 CD2 LEU A 44 6.837 -8.707 -5.121 1.00 1.80 C ATOM 0 H LEU A 44 5.330 -10.650 -8.009 1.00 1.56 H new ATOM 0 HA LEU A 44 4.868 -8.128 -6.792 1.00 1.47 H new ATOM 0 HB2 LEU A 44 7.126 -9.187 -8.524 1.00 1.65 H new ATOM 0 HB3 LEU A 44 7.176 -7.670 -7.649 1.00 1.65 H new ATOM 0 HG LEU A 44 6.876 -10.418 -6.400 1.00 1.77 H new ATOM 0 HD11 LEU A 44 9.153 -10.038 -5.539 1.00 1.89 H new ATOM 0 HD12 LEU A 44 9.110 -10.067 -7.318 1.00 1.89 H new ATOM 0 HD13 LEU A 44 9.238 -8.516 -6.456 1.00 1.89 H new ATOM 0 HD21 LEU A 44 7.223 -9.242 -4.254 1.00 1.80 H new ATOM 0 HD22 LEU A 44 7.216 -7.685 -5.115 1.00 1.80 H new ATOM 0 HD23 LEU A 44 5.748 -8.690 -5.082 1.00 1.80 H new ATOM 409 N LYS A 45 4.252 -8.281 -9.918 1.00 1.48 N ATOM 410 CA LYS A 45 3.756 -7.532 -11.068 1.00 1.52 C ATOM 411 C LYS A 45 2.657 -6.576 -10.618 1.00 1.41 C ATOM 412 O LYS A 45 2.593 -5.426 -11.058 1.00 1.43 O ATOM 413 CB LYS A 45 3.216 -8.501 -12.128 1.00 1.63 C ATOM 414 CG LYS A 45 2.257 -7.874 -13.135 1.00 1.89 C ATOM 415 CD LYS A 45 2.992 -7.117 -14.231 1.00 1.77 C ATOM 416 CE LYS A 45 2.482 -7.509 -15.610 1.00 2.18 C ATOM 417 NZ LYS A 45 3.261 -6.861 -16.700 1.00 2.44 N ATOM 0 H LYS A 45 4.142 -9.292 -9.997 1.00 1.48 H new ATOM 0 HA LYS A 45 4.572 -6.956 -11.505 1.00 1.52 H new ATOM 0 HB2 LYS A 45 4.058 -8.933 -12.669 1.00 1.63 H new ATOM 0 HB3 LYS A 45 2.706 -9.322 -11.624 1.00 1.63 H new ATOM 0 HG2 LYS A 45 1.642 -8.654 -13.584 1.00 1.89 H new ATOM 0 HG3 LYS A 45 1.581 -7.194 -12.616 1.00 1.89 H new ATOM 0 HD2 LYS A 45 2.863 -6.045 -14.084 1.00 1.77 H new ATOM 0 HD3 LYS A 45 4.060 -7.322 -14.164 1.00 1.77 H new ATOM 0 HE2 LYS A 45 2.535 -8.592 -15.721 1.00 2.18 H new ATOM 0 HE3 LYS A 45 1.432 -7.231 -15.700 1.00 2.18 H new ATOM 0 HZ1 LYS A 45 3.166 -7.418 -17.573 1.00 2.44 H new ATOM 0 HZ2 LYS A 45 2.899 -5.900 -16.861 1.00 2.44 H new ATOM 0 HZ3 LYS A 45 4.264 -6.812 -16.428 1.00 2.44 H new ATOM 431 N LYS A 46 1.822 -7.063 -9.706 1.00 1.33 N ATOM 432 CA LYS A 46 0.714 -6.286 -9.168 1.00 1.28 C ATOM 433 C LYS A 46 1.226 -5.043 -8.453 1.00 1.20 C ATOM 434 O LYS A 46 0.674 -3.954 -8.607 1.00 1.20 O ATOM 435 CB LYS A 46 -0.104 -7.143 -8.200 1.00 1.31 C ATOM 436 CG LYS A 46 -1.326 -6.434 -7.644 1.00 1.33 C ATOM 437 CD LYS A 46 -2.488 -6.480 -8.621 1.00 1.76 C ATOM 438 CE LYS A 46 -3.438 -5.317 -8.410 1.00 1.82 C ATOM 439 NZ LYS A 46 -3.049 -4.126 -9.214 1.00 2.08 N ATOM 0 H LYS A 46 1.895 -8.005 -9.321 1.00 1.33 H new ATOM 0 HA LYS A 46 0.078 -5.973 -9.996 1.00 1.28 H new ATOM 0 HB2 LYS A 46 -0.423 -8.051 -8.712 1.00 1.31 H new ATOM 0 HB3 LYS A 46 0.535 -7.451 -7.372 1.00 1.31 H new ATOM 0 HG2 LYS A 46 -1.621 -6.899 -6.703 1.00 1.33 H new ATOM 0 HG3 LYS A 46 -1.077 -5.396 -7.422 1.00 1.33 H new ATOM 0 HD2 LYS A 46 -2.107 -6.459 -9.642 1.00 1.76 H new ATOM 0 HD3 LYS A 46 -3.028 -7.419 -8.501 1.00 1.76 H new ATOM 0 HE2 LYS A 46 -4.449 -5.622 -8.679 1.00 1.82 H new ATOM 0 HE3 LYS A 46 -3.456 -5.051 -7.353 1.00 1.82 H new ATOM 0 HZ1 LYS A 46 -3.899 -3.695 -9.630 1.00 2.08 H new ATOM 0 HZ2 LYS A 46 -2.574 -3.433 -8.601 1.00 2.08 H new ATOM 0 HZ3 LYS A 46 -2.402 -4.417 -9.974 1.00 2.08 H new ATOM 453 N LEU A 47 2.291 -5.215 -7.680 1.00 1.18 N ATOM 454 CA LEU A 47 2.881 -4.113 -6.931 1.00 1.15 C ATOM 455 C LEU A 47 3.483 -3.084 -7.881 1.00 1.18 C ATOM 456 O LEU A 47 3.339 -1.879 -7.681 1.00 1.20 O ATOM 457 CB LEU A 47 3.968 -4.628 -5.966 1.00 1.21 C ATOM 458 CG LEU A 47 3.483 -5.447 -4.758 1.00 1.64 C ATOM 459 CD1 LEU A 47 2.167 -4.915 -4.226 1.00 2.54 C ATOM 460 CD2 LEU A 47 3.357 -6.920 -5.111 1.00 2.22 C ATOM 0 H LEU A 47 2.765 -6.110 -7.555 1.00 1.18 H new ATOM 0 HA LEU A 47 2.090 -3.640 -6.349 1.00 1.15 H new ATOM 0 HB2 LEU A 47 4.666 -5.241 -6.535 1.00 1.21 H new ATOM 0 HB3 LEU A 47 4.528 -3.770 -5.594 1.00 1.21 H new ATOM 0 HG LEU A 47 4.232 -5.346 -3.972 1.00 1.64 H new ATOM 0 HD11 LEU A 47 1.850 -5.515 -3.373 1.00 2.54 H new ATOM 0 HD12 LEU A 47 2.293 -3.878 -3.914 1.00 2.54 H new ATOM 0 HD13 LEU A 47 1.410 -4.969 -5.008 1.00 2.54 H new ATOM 0 HD21 LEU A 47 3.012 -7.475 -4.238 1.00 2.22 H new ATOM 0 HD22 LEU A 47 2.640 -7.039 -5.923 1.00 2.22 H new ATOM 0 HD23 LEU A 47 4.328 -7.303 -5.425 1.00 2.22 H new ATOM 472 N LYS A 48 4.137 -3.572 -8.925 1.00 1.25 N ATOM 473 CA LYS A 48 4.780 -2.706 -9.905 1.00 1.37 C ATOM 474 C LYS A 48 3.772 -1.842 -10.664 1.00 1.38 C ATOM 475 O LYS A 48 3.930 -0.622 -10.744 1.00 1.43 O ATOM 476 CB LYS A 48 5.584 -3.546 -10.898 1.00 1.53 C ATOM 477 CG LYS A 48 6.803 -4.213 -10.285 1.00 1.58 C ATOM 478 CD LYS A 48 7.458 -5.185 -11.256 1.00 1.80 C ATOM 479 CE LYS A 48 8.098 -4.464 -12.433 1.00 2.01 C ATOM 480 NZ LYS A 48 8.747 -5.415 -13.375 1.00 2.26 N ATOM 0 H LYS A 48 4.237 -4.569 -9.117 1.00 1.25 H new ATOM 0 HA LYS A 48 5.444 -2.037 -9.358 1.00 1.37 H new ATOM 0 HB2 LYS A 48 4.935 -4.313 -11.321 1.00 1.53 H new ATOM 0 HB3 LYS A 48 5.905 -2.910 -11.723 1.00 1.53 H new ATOM 0 HG2 LYS A 48 7.525 -3.452 -9.989 1.00 1.58 H new ATOM 0 HG3 LYS A 48 6.511 -4.744 -9.379 1.00 1.58 H new ATOM 0 HD2 LYS A 48 8.215 -5.768 -10.731 1.00 1.80 H new ATOM 0 HD3 LYS A 48 6.712 -5.889 -11.624 1.00 1.80 H new ATOM 0 HE2 LYS A 48 7.339 -3.888 -12.963 1.00 2.01 H new ATOM 0 HE3 LYS A 48 8.839 -3.754 -12.065 1.00 2.01 H new ATOM 0 HZ1 LYS A 48 9.367 -4.891 -14.025 1.00 2.26 H new ATOM 0 HZ2 LYS A 48 9.312 -6.104 -12.838 1.00 2.26 H new ATOM 0 HZ3 LYS A 48 8.017 -5.916 -13.921 1.00 2.26 H new ATOM 494 N GLU A 49 2.736 -2.471 -11.210 1.00 1.39 N ATOM 495 CA GLU A 49 1.734 -1.750 -11.988 1.00 1.46 C ATOM 496 C GLU A 49 0.981 -0.720 -11.149 1.00 1.40 C ATOM 497 O GLU A 49 0.843 0.434 -11.557 1.00 1.51 O ATOM 498 CB GLU A 49 0.746 -2.716 -12.653 1.00 1.52 C ATOM 499 CG GLU A 49 0.085 -3.694 -11.697 1.00 1.45 C ATOM 500 CD GLU A 49 -1.091 -4.412 -12.320 1.00 1.63 C ATOM 501 OE1 GLU A 49 -0.951 -4.930 -13.447 1.00 1.88 O ATOM 502 OE2 GLU A 49 -2.170 -4.453 -11.691 1.00 1.70 O ATOM 0 H GLU A 49 2.568 -3.474 -11.129 1.00 1.39 H new ATOM 0 HA GLU A 49 2.274 -1.211 -12.766 1.00 1.46 H new ATOM 0 HB2 GLU A 49 -0.029 -2.136 -13.154 1.00 1.52 H new ATOM 0 HB3 GLU A 49 1.271 -3.279 -13.424 1.00 1.52 H new ATOM 0 HG2 GLU A 49 0.821 -4.428 -11.368 1.00 1.45 H new ATOM 0 HG3 GLU A 49 -0.250 -3.158 -10.809 1.00 1.45 H new ATOM 509 N SER A 50 0.517 -1.122 -9.973 1.00 1.30 N ATOM 510 CA SER A 50 -0.232 -0.225 -9.104 1.00 1.32 C ATOM 511 C SER A 50 0.626 0.930 -8.609 1.00 1.33 C ATOM 512 O SER A 50 0.123 2.039 -8.403 1.00 1.46 O ATOM 513 CB SER A 50 -0.808 -0.993 -7.927 1.00 1.26 C ATOM 514 OG SER A 50 -1.745 -1.957 -8.370 1.00 1.37 O ATOM 0 H SER A 50 0.646 -2.062 -9.600 1.00 1.30 H new ATOM 0 HA SER A 50 -1.047 0.198 -9.691 1.00 1.32 H new ATOM 0 HB2 SER A 50 -0.004 -1.485 -7.379 1.00 1.26 H new ATOM 0 HB3 SER A 50 -1.289 -0.302 -7.235 1.00 1.26 H new ATOM 0 HG SER A 50 -2.560 -1.893 -7.830 1.00 1.37 H new ATOM 520 N TYR A 51 1.915 0.680 -8.421 1.00 1.26 N ATOM 521 CA TYR A 51 2.817 1.723 -7.971 1.00 1.33 C ATOM 522 C TYR A 51 2.927 2.784 -9.054 1.00 1.50 C ATOM 523 O TYR A 51 2.937 3.983 -8.769 1.00 1.62 O ATOM 524 CB TYR A 51 4.193 1.156 -7.642 1.00 1.28 C ATOM 525 CG TYR A 51 5.007 2.053 -6.739 1.00 1.35 C ATOM 526 CD1 TYR A 51 4.927 1.936 -5.359 1.00 1.35 C ATOM 527 CD2 TYR A 51 5.847 3.022 -7.266 1.00 1.54 C ATOM 528 CE1 TYR A 51 5.665 2.761 -4.529 1.00 1.46 C ATOM 529 CE2 TYR A 51 6.586 3.853 -6.445 1.00 1.64 C ATOM 530 CZ TYR A 51 6.491 3.719 -5.080 1.00 1.56 C ATOM 531 OH TYR A 51 7.224 4.548 -4.257 1.00 1.69 O ATOM 0 H TYR A 51 2.353 -0.229 -8.572 1.00 1.26 H new ATOM 0 HA TYR A 51 2.418 2.167 -7.059 1.00 1.33 H new ATOM 0 HB2 TYR A 51 4.073 0.183 -7.165 1.00 1.28 H new ATOM 0 HB3 TYR A 51 4.742 0.991 -8.569 1.00 1.28 H new ATOM 0 HD1 TYR A 51 4.278 1.189 -4.926 1.00 1.35 H new ATOM 0 HD2 TYR A 51 5.925 3.130 -8.338 1.00 1.54 H new ATOM 0 HE1 TYR A 51 5.595 2.656 -3.456 1.00 1.46 H new ATOM 0 HE2 TYR A 51 7.234 4.603 -6.873 1.00 1.64 H new ATOM 0 HH TYR A 51 7.755 5.165 -4.803 1.00 1.69 H new ATOM 541 N CYS A 52 2.986 2.329 -10.301 1.00 1.55 N ATOM 542 CA CYS A 52 3.065 3.227 -11.440 1.00 1.74 C ATOM 543 C CYS A 52 1.788 4.054 -11.525 1.00 1.84 C ATOM 544 O CYS A 52 1.823 5.244 -11.837 1.00 1.99 O ATOM 545 CB CYS A 52 3.270 2.433 -12.734 1.00 1.82 C ATOM 546 SG CYS A 52 4.759 1.409 -12.745 1.00 1.82 S ATOM 0 H CYS A 52 2.980 1.339 -10.546 1.00 1.55 H new ATOM 0 HA CYS A 52 3.917 3.894 -11.309 1.00 1.74 H new ATOM 0 HB2 CYS A 52 2.402 1.794 -12.897 1.00 1.82 H new ATOM 0 HB3 CYS A 52 3.315 3.129 -13.571 1.00 1.82 H new ATOM 0 HG CYS A 52 4.631 0.448 -11.878 1.00 1.82 H new ATOM 552 N GLN A 53 0.662 3.413 -11.220 1.00 1.79 N ATOM 553 CA GLN A 53 -0.636 4.076 -11.243 1.00 1.94 C ATOM 554 C GLN A 53 -0.685 5.181 -10.189 1.00 1.99 C ATOM 555 O GLN A 53 -1.196 6.272 -10.444 1.00 2.17 O ATOM 556 CB GLN A 53 -1.757 3.062 -10.995 1.00 1.91 C ATOM 557 CG GLN A 53 -1.858 1.981 -12.064 1.00 1.94 C ATOM 558 CD GLN A 53 -2.769 0.834 -11.666 1.00 1.90 C ATOM 559 OE1 GLN A 53 -2.896 0.502 -10.488 1.00 1.86 O ATOM 560 NE2 GLN A 53 -3.415 0.225 -12.649 1.00 2.00 N ATOM 0 H GLN A 53 0.625 2.429 -10.953 1.00 1.79 H new ATOM 0 HA GLN A 53 -0.780 4.522 -12.227 1.00 1.94 H new ATOM 0 HB2 GLN A 53 -1.597 2.588 -10.027 1.00 1.91 H new ATOM 0 HB3 GLN A 53 -2.707 3.592 -10.937 1.00 1.91 H new ATOM 0 HG2 GLN A 53 -2.226 2.426 -12.988 1.00 1.94 H new ATOM 0 HG3 GLN A 53 -0.862 1.591 -12.273 1.00 1.94 H new ATOM 0 HE21 GLN A 53 -3.282 0.531 -13.613 1.00 2.00 H new ATOM 0 HE22 GLN A 53 -4.045 -0.550 -12.442 1.00 2.00 H new ATOM 569 N ARG A 54 -0.139 4.899 -9.008 1.00 1.86 N ATOM 570 CA ARG A 54 -0.123 5.874 -7.923 1.00 1.94 C ATOM 571 C ARG A 54 0.786 7.053 -8.260 1.00 2.02 C ATOM 572 O ARG A 54 0.462 8.201 -7.962 1.00 2.17 O ATOM 573 CB ARG A 54 0.329 5.220 -6.611 1.00 1.82 C ATOM 574 CG ARG A 54 0.476 6.206 -5.455 1.00 2.10 C ATOM 575 CD ARG A 54 0.809 5.502 -4.149 1.00 1.80 C ATOM 576 NE ARG A 54 1.215 6.445 -3.102 1.00 1.77 N ATOM 577 CZ ARG A 54 0.835 6.359 -1.823 1.00 1.81 C ATOM 578 NH1 ARG A 54 -0.016 5.419 -1.434 1.00 1.85 N ATOM 579 NH2 ARG A 54 1.287 7.236 -0.935 1.00 1.89 N ATOM 0 H ARG A 54 0.297 4.005 -8.780 1.00 1.86 H new ATOM 0 HA ARG A 54 -1.140 6.247 -7.797 1.00 1.94 H new ATOM 0 HB2 ARG A 54 -0.391 4.450 -6.332 1.00 1.82 H new ATOM 0 HB3 ARG A 54 1.284 4.720 -6.774 1.00 1.82 H new ATOM 0 HG2 ARG A 54 1.260 6.926 -5.689 1.00 2.10 H new ATOM 0 HG3 ARG A 54 -0.450 6.769 -5.338 1.00 2.10 H new ATOM 0 HD2 ARG A 54 -0.060 4.937 -3.810 1.00 1.80 H new ATOM 0 HD3 ARG A 54 1.610 4.783 -4.319 1.00 1.80 H new ATOM 0 HE ARG A 54 1.827 7.217 -3.367 1.00 1.77 H new ATOM 0 HH11 ARG A 54 -0.386 4.754 -2.113 1.00 1.85 H new ATOM 0 HH12 ARG A 54 -0.300 5.361 -0.456 1.00 1.85 H new ATOM 0 HH21 ARG A 54 1.925 7.976 -1.228 1.00 1.89 H new ATOM 0 HH22 ARG A 54 0.997 7.170 0.041 1.00 1.89 H new ATOM 593 N GLN A 55 1.915 6.768 -8.897 1.00 1.96 N ATOM 594 CA GLN A 55 2.863 7.813 -9.264 1.00 2.07 C ATOM 595 C GLN A 55 2.417 8.548 -10.526 1.00 2.27 C ATOM 596 O GLN A 55 2.990 9.572 -10.892 1.00 2.41 O ATOM 597 CB GLN A 55 4.262 7.226 -9.463 1.00 2.01 C ATOM 598 CG GLN A 55 4.839 6.594 -8.204 1.00 1.84 C ATOM 599 CD GLN A 55 4.815 7.532 -7.009 1.00 1.98 C ATOM 600 OE1 GLN A 55 3.838 7.583 -6.260 1.00 1.96 O ATOM 601 NE2 GLN A 55 5.893 8.273 -6.814 1.00 2.24 N ATOM 0 H GLN A 55 2.196 5.826 -9.169 1.00 1.96 H new ATOM 0 HA GLN A 55 2.896 8.532 -8.445 1.00 2.07 H new ATOM 0 HB2 GLN A 55 4.224 6.475 -10.252 1.00 2.01 H new ATOM 0 HB3 GLN A 55 4.933 8.014 -9.805 1.00 2.01 H new ATOM 0 HG2 GLN A 55 4.274 5.693 -7.964 1.00 1.84 H new ATOM 0 HG3 GLN A 55 5.866 6.285 -8.396 1.00 1.84 H new ATOM 0 HE21 GLN A 55 6.683 8.203 -7.456 1.00 2.24 H new ATOM 0 HE22 GLN A 55 5.935 8.914 -6.022 1.00 2.24 H new ATOM 610 N GLY A 56 1.395 8.012 -11.188 1.00 2.29 N ATOM 611 CA GLY A 56 0.876 8.630 -12.394 1.00 2.49 C ATOM 612 C GLY A 56 1.801 8.453 -13.580 1.00 2.55 C ATOM 613 O GLY A 56 1.940 9.355 -14.406 1.00 2.74 O ATOM 0 H GLY A 56 0.916 7.156 -10.908 1.00 2.29 H new ATOM 0 HA2 GLY A 56 -0.097 8.200 -12.629 1.00 2.49 H new ATOM 0 HA3 GLY A 56 0.719 9.694 -12.215 1.00 2.49 H new ATOM 617 N VAL A 57 2.435 7.295 -13.666 1.00 2.42 N ATOM 618 CA VAL A 57 3.351 7.006 -14.756 1.00 2.52 C ATOM 619 C VAL A 57 2.955 5.708 -15.457 1.00 2.44 C ATOM 620 O VAL A 57 2.348 4.827 -14.845 1.00 2.26 O ATOM 621 CB VAL A 57 4.810 6.893 -14.257 1.00 2.52 C ATOM 622 CG1 VAL A 57 5.300 8.228 -13.718 1.00 2.66 C ATOM 623 CG2 VAL A 57 4.939 5.809 -13.194 1.00 2.31 C ATOM 0 H VAL A 57 2.331 6.537 -12.991 1.00 2.42 H new ATOM 0 HA VAL A 57 3.289 7.836 -15.460 1.00 2.52 H new ATOM 0 HB VAL A 57 5.435 6.614 -15.106 1.00 2.52 H new ATOM 0 HG11 VAL A 57 6.329 8.125 -13.372 1.00 2.66 H new ATOM 0 HG12 VAL A 57 5.256 8.978 -14.508 1.00 2.66 H new ATOM 0 HG13 VAL A 57 4.667 8.539 -12.887 1.00 2.66 H new ATOM 0 HG21 VAL A 57 5.975 5.749 -12.859 1.00 2.31 H new ATOM 0 HG22 VAL A 57 4.297 6.052 -12.347 1.00 2.31 H new ATOM 0 HG23 VAL A 57 4.638 4.850 -13.614 1.00 2.31 H new ATOM 633 N PRO A 58 3.267 5.578 -16.757 1.00 2.60 N ATOM 634 CA PRO A 58 2.954 4.375 -17.533 1.00 2.59 C ATOM 635 C PRO A 58 3.760 3.169 -17.056 1.00 2.43 C ATOM 636 O PRO A 58 4.812 3.320 -16.434 1.00 2.41 O ATOM 637 CB PRO A 58 3.350 4.746 -18.972 1.00 2.86 C ATOM 638 CG PRO A 58 3.503 6.229 -18.969 1.00 2.93 C ATOM 639 CD PRO A 58 3.937 6.594 -17.580 1.00 2.84 C ATOM 0 HA PRO A 58 1.907 4.089 -17.435 1.00 2.59 H new ATOM 0 HB2 PRO A 58 4.279 4.256 -19.263 1.00 2.86 H new ATOM 0 HB3 PRO A 58 2.587 4.431 -19.683 1.00 2.86 H new ATOM 0 HG2 PRO A 58 4.241 6.547 -19.705 1.00 2.93 H new ATOM 0 HG3 PRO A 58 2.564 6.719 -19.227 1.00 2.93 H new ATOM 0 HD2 PRO A 58 5.021 6.554 -17.470 1.00 2.84 H new ATOM 0 HD3 PRO A 58 3.626 7.603 -17.310 1.00 2.84 H new ATOM 647 N MET A 59 3.265 1.974 -17.345 1.00 2.35 N ATOM 648 CA MET A 59 3.940 0.748 -16.940 1.00 2.23 C ATOM 649 C MET A 59 5.300 0.618 -17.625 1.00 2.37 C ATOM 650 O MET A 59 5.459 1.024 -18.776 1.00 2.52 O ATOM 651 CB MET A 59 3.072 -0.470 -17.272 1.00 2.17 C ATOM 652 CG MET A 59 3.708 -1.806 -16.907 1.00 2.10 C ATOM 653 SD MET A 59 4.088 -1.937 -15.149 1.00 1.99 S ATOM 654 CE MET A 59 4.892 -3.537 -15.096 1.00 1.73 C ATOM 0 H MET A 59 2.397 1.827 -17.859 1.00 2.35 H new ATOM 0 HA MET A 59 4.100 0.792 -15.863 1.00 2.23 H new ATOM 0 HB2 MET A 59 2.120 -0.378 -16.749 1.00 2.17 H new ATOM 0 HB3 MET A 59 2.851 -0.465 -18.339 1.00 2.17 H new ATOM 0 HG2 MET A 59 3.034 -2.614 -17.190 1.00 2.10 H new ATOM 0 HG3 MET A 59 4.624 -1.938 -17.484 1.00 2.10 H new ATOM 0 HE1 MET A 59 5.187 -3.762 -14.071 1.00 1.73 H new ATOM 0 HE2 MET A 59 4.202 -4.303 -15.451 1.00 1.73 H new ATOM 0 HE3 MET A 59 5.776 -3.521 -15.733 1.00 1.73 H new ATOM 664 N ASN A 60 6.274 0.080 -16.883 1.00 2.55 N ATOM 665 CA ASN A 60 7.639 -0.151 -17.377 1.00 2.74 C ATOM 666 C ASN A 60 8.466 1.128 -17.468 1.00 2.80 C ATOM 667 O ASN A 60 9.625 1.085 -17.890 1.00 2.93 O ATOM 668 CB ASN A 60 7.634 -0.859 -18.736 1.00 3.07 C ATOM 669 CG ASN A 60 7.590 -2.368 -18.609 1.00 3.37 C ATOM 670 OD1 ASN A 60 6.514 -2.962 -18.534 1.00 3.65 O ATOM 671 ND2 ASN A 60 8.754 -2.999 -18.580 1.00 3.50 N ATOM 0 H ASN A 60 6.138 -0.210 -15.915 1.00 2.55 H new ATOM 0 HA ASN A 60 8.111 -0.797 -16.637 1.00 2.74 H new ATOM 0 HB2 ASN A 60 6.773 -0.522 -19.314 1.00 3.07 H new ATOM 0 HB3 ASN A 60 8.525 -0.571 -19.294 1.00 3.07 H new ATOM 0 HD21 ASN A 60 8.781 -4.015 -18.493 1.00 3.50 H new ATOM 0 HD22 ASN A 60 9.623 -2.469 -18.645 1.00 3.50 H new ATOM 678 N SER A 61 7.887 2.259 -17.076 1.00 2.74 N ATOM 679 CA SER A 61 8.613 3.523 -17.117 1.00 2.82 C ATOM 680 C SER A 61 9.623 3.572 -15.977 1.00 2.72 C ATOM 681 O SER A 61 10.649 4.249 -16.061 1.00 2.87 O ATOM 682 CB SER A 61 7.650 4.708 -17.021 1.00 2.82 C ATOM 683 OG SER A 61 6.931 4.686 -15.797 1.00 2.71 O ATOM 0 H SER A 61 6.930 2.326 -16.731 1.00 2.74 H new ATOM 0 HA SER A 61 9.140 3.591 -18.069 1.00 2.82 H new ATOM 0 HB2 SER A 61 8.208 5.641 -17.102 1.00 2.82 H new ATOM 0 HB3 SER A 61 6.951 4.681 -17.857 1.00 2.82 H new ATOM 0 HG SER A 61 6.240 3.992 -15.836 1.00 2.71 H new ATOM 689 N LEU A 62 9.319 2.838 -14.917 1.00 2.52 N ATOM 690 CA LEU A 62 10.177 2.775 -13.753 1.00 2.44 C ATOM 691 C LEU A 62 10.647 1.343 -13.524 1.00 2.42 C ATOM 692 O LEU A 62 9.948 0.390 -13.869 1.00 2.36 O ATOM 693 CB LEU A 62 9.436 3.273 -12.507 1.00 2.21 C ATOM 694 CG LEU A 62 8.731 4.627 -12.642 1.00 2.26 C ATOM 695 CD1 LEU A 62 8.011 4.978 -11.350 1.00 2.10 C ATOM 696 CD2 LEU A 62 9.720 5.722 -13.010 1.00 2.43 C ATOM 0 H LEU A 62 8.473 2.273 -14.844 1.00 2.52 H new ATOM 0 HA LEU A 62 11.040 3.417 -13.932 1.00 2.44 H new ATOM 0 HB2 LEU A 62 8.694 2.525 -12.227 1.00 2.21 H new ATOM 0 HB3 LEU A 62 10.150 3.337 -11.686 1.00 2.21 H new ATOM 0 HG LEU A 62 7.997 4.549 -13.444 1.00 2.26 H new ATOM 0 HD11 LEU A 62 7.515 5.942 -11.460 1.00 2.10 H new ATOM 0 HD12 LEU A 62 7.269 4.211 -11.127 1.00 2.10 H new ATOM 0 HD13 LEU A 62 8.732 5.032 -10.535 1.00 2.10 H new ATOM 0 HD21 LEU A 62 9.194 6.672 -13.100 1.00 2.43 H new ATOM 0 HD22 LEU A 62 10.481 5.800 -12.234 1.00 2.43 H new ATOM 0 HD23 LEU A 62 10.195 5.479 -13.961 1.00 2.43 H new ATOM 708 N ARG A 63 11.832 1.206 -12.954 1.00 2.50 N ATOM 709 CA ARG A 63 12.403 -0.097 -12.659 1.00 2.52 C ATOM 710 C ARG A 63 12.490 -0.288 -11.155 1.00 2.38 C ATOM 711 O ARG A 63 12.784 0.655 -10.415 1.00 2.41 O ATOM 712 CB ARG A 63 13.799 -0.240 -13.279 1.00 2.78 C ATOM 713 CG ARG A 63 14.808 0.772 -12.757 1.00 2.88 C ATOM 714 CD ARG A 63 16.218 0.456 -13.227 1.00 3.08 C ATOM 715 NE ARG A 63 17.159 1.519 -12.876 1.00 3.22 N ATOM 716 CZ ARG A 63 17.415 2.571 -13.656 1.00 3.35 C ATOM 717 NH1 ARG A 63 16.826 2.691 -14.840 1.00 3.39 N ATOM 718 NH2 ARG A 63 18.267 3.503 -13.257 1.00 3.47 N ATOM 0 H ARG A 63 12.424 1.992 -12.684 1.00 2.50 H new ATOM 0 HA ARG A 63 11.756 -0.861 -13.091 1.00 2.52 H new ATOM 0 HB2 ARG A 63 14.172 -1.245 -13.084 1.00 2.78 H new ATOM 0 HB3 ARG A 63 13.719 -0.134 -14.361 1.00 2.78 H new ATOM 0 HG2 ARG A 63 14.528 1.771 -13.092 1.00 2.88 H new ATOM 0 HG3 ARG A 63 14.782 0.783 -11.667 1.00 2.88 H new ATOM 0 HD2 ARG A 63 16.548 -0.483 -12.782 1.00 3.08 H new ATOM 0 HD3 ARG A 63 16.217 0.313 -14.308 1.00 3.08 H new ATOM 0 HE ARG A 63 17.648 1.452 -11.983 1.00 3.22 H new ATOM 0 HH11 ARG A 63 16.172 1.976 -15.159 1.00 3.39 H new ATOM 0 HH12 ARG A 63 17.027 3.498 -15.430 1.00 3.39 H new ATOM 0 HH21 ARG A 63 18.729 3.418 -12.352 1.00 3.47 H new ATOM 0 HH22 ARG A 63 18.461 4.306 -13.855 1.00 3.47 H new ATOM 732 N PHE A 64 12.229 -1.499 -10.706 1.00 2.24 N ATOM 733 CA PHE A 64 12.284 -1.813 -9.290 1.00 2.11 C ATOM 734 C PHE A 64 13.497 -2.681 -9.002 1.00 2.29 C ATOM 735 O PHE A 64 13.585 -3.814 -9.474 1.00 2.40 O ATOM 736 CB PHE A 64 10.999 -2.513 -8.850 1.00 1.87 C ATOM 737 CG PHE A 64 9.810 -1.595 -8.814 1.00 1.69 C ATOM 738 CD1 PHE A 64 9.051 -1.377 -9.951 1.00 1.73 C ATOM 739 CD2 PHE A 64 9.453 -0.949 -7.642 1.00 1.54 C ATOM 740 CE1 PHE A 64 7.960 -0.531 -9.921 1.00 1.64 C ATOM 741 CE2 PHE A 64 8.363 -0.102 -7.606 1.00 1.43 C ATOM 742 CZ PHE A 64 7.615 0.107 -8.746 1.00 1.49 C ATOM 0 H PHE A 64 11.975 -2.286 -11.303 1.00 2.24 H new ATOM 0 HA PHE A 64 12.376 -0.887 -8.723 1.00 2.11 H new ATOM 0 HB2 PHE A 64 10.792 -3.340 -9.530 1.00 1.87 H new ATOM 0 HB3 PHE A 64 11.148 -2.944 -7.860 1.00 1.87 H new ATOM 0 HD1 PHE A 64 9.315 -1.874 -10.872 1.00 1.73 H new ATOM 0 HD2 PHE A 64 10.034 -1.110 -6.746 1.00 1.54 H new ATOM 0 HE1 PHE A 64 7.377 -0.369 -10.816 1.00 1.64 H new ATOM 0 HE2 PHE A 64 8.096 0.397 -6.686 1.00 1.43 H new ATOM 0 HZ PHE A 64 6.761 0.768 -8.720 1.00 1.49 H new ATOM 752 N LEU A 65 14.435 -2.142 -8.244 1.00 2.35 N ATOM 753 CA LEU A 65 15.655 -2.860 -7.915 1.00 2.54 C ATOM 754 C LEU A 65 15.648 -3.334 -6.467 1.00 2.45 C ATOM 755 O LEU A 65 15.496 -2.538 -5.536 1.00 2.29 O ATOM 756 CB LEU A 65 16.879 -1.975 -8.165 1.00 2.77 C ATOM 757 CG LEU A 65 17.069 -1.505 -9.611 1.00 2.97 C ATOM 758 CD1 LEU A 65 18.285 -0.600 -9.721 1.00 3.16 C ATOM 759 CD2 LEU A 65 17.209 -2.697 -10.549 1.00 3.20 C ATOM 0 H LEU A 65 14.375 -1.206 -7.843 1.00 2.35 H new ATOM 0 HA LEU A 65 15.706 -3.737 -8.561 1.00 2.54 H new ATOM 0 HB2 LEU A 65 16.808 -1.097 -7.522 1.00 2.77 H new ATOM 0 HB3 LEU A 65 17.770 -2.523 -7.859 1.00 2.77 H new ATOM 0 HG LEU A 65 16.186 -0.937 -9.905 1.00 2.97 H new ATOM 0 HD11 LEU A 65 18.405 -0.276 -10.755 1.00 3.16 H new ATOM 0 HD12 LEU A 65 18.149 0.272 -9.081 1.00 3.16 H new ATOM 0 HD13 LEU A 65 19.175 -1.146 -9.407 1.00 3.16 H new ATOM 0 HD21 LEU A 65 17.343 -2.342 -11.571 1.00 3.20 H new ATOM 0 HD22 LEU A 65 18.074 -3.292 -10.255 1.00 3.20 H new ATOM 0 HD23 LEU A 65 16.310 -3.311 -10.493 1.00 3.20 H new ATOM 771 N PHE A 66 15.815 -4.631 -6.289 1.00 2.57 N ATOM 772 CA PHE A 66 15.849 -5.238 -4.970 1.00 2.54 C ATOM 773 C PHE A 66 17.144 -6.023 -4.811 1.00 2.84 C ATOM 774 O PHE A 66 17.356 -7.024 -5.498 1.00 2.97 O ATOM 775 CB PHE A 66 14.640 -6.158 -4.780 1.00 2.37 C ATOM 776 CG PHE A 66 14.611 -6.871 -3.458 1.00 2.35 C ATOM 777 CD1 PHE A 66 14.266 -6.196 -2.299 1.00 2.20 C ATOM 778 CD2 PHE A 66 14.926 -8.219 -3.374 1.00 2.54 C ATOM 779 CE1 PHE A 66 14.236 -6.851 -1.083 1.00 2.24 C ATOM 780 CE2 PHE A 66 14.899 -8.878 -2.160 1.00 2.56 C ATOM 781 CZ PHE A 66 14.553 -8.193 -1.013 1.00 2.42 C ATOM 0 H PHE A 66 15.931 -5.295 -7.055 1.00 2.57 H new ATOM 0 HA PHE A 66 15.807 -4.457 -4.210 1.00 2.54 H new ATOM 0 HB2 PHE A 66 13.729 -5.568 -4.882 1.00 2.37 H new ATOM 0 HB3 PHE A 66 14.632 -6.898 -5.580 1.00 2.37 H new ATOM 0 HD1 PHE A 66 14.018 -5.146 -2.346 1.00 2.20 H new ATOM 0 HD2 PHE A 66 15.196 -8.760 -4.269 1.00 2.54 H new ATOM 0 HE1 PHE A 66 13.964 -6.313 -0.187 1.00 2.24 H new ATOM 0 HE2 PHE A 66 15.148 -9.928 -2.109 1.00 2.56 H new ATOM 0 HZ PHE A 66 14.530 -8.706 -0.063 1.00 2.42 H new ATOM 791 N GLU A 67 18.023 -5.532 -3.941 1.00 2.95 N ATOM 792 CA GLU A 67 19.313 -6.171 -3.675 1.00 3.25 C ATOM 793 C GLU A 67 20.182 -6.216 -4.933 1.00 3.44 C ATOM 794 O GLU A 67 21.068 -7.062 -5.060 1.00 3.64 O ATOM 795 CB GLU A 67 19.119 -7.584 -3.123 1.00 3.32 C ATOM 796 CG GLU A 67 18.608 -7.618 -1.694 1.00 3.20 C ATOM 797 CD GLU A 67 19.285 -8.693 -0.880 1.00 3.33 C ATOM 798 OE1 GLU A 67 18.885 -9.871 -0.984 1.00 3.33 O ATOM 799 OE2 GLU A 67 20.246 -8.370 -0.148 1.00 3.62 O ATOM 0 H GLU A 67 17.863 -4.682 -3.401 1.00 2.95 H new ATOM 0 HA GLU A 67 19.826 -5.569 -2.925 1.00 3.25 H new ATOM 0 HB2 GLU A 67 18.418 -8.121 -3.763 1.00 3.32 H new ATOM 0 HB3 GLU A 67 20.069 -8.117 -3.172 1.00 3.32 H new ATOM 0 HG2 GLU A 67 18.775 -6.648 -1.225 1.00 3.20 H new ATOM 0 HG3 GLU A 67 17.531 -7.789 -1.697 1.00 3.20 H new ATOM 806 N GLY A 68 19.930 -5.303 -5.858 1.00 3.41 N ATOM 807 CA GLY A 68 20.699 -5.267 -7.087 1.00 3.61 C ATOM 808 C GLY A 68 20.037 -6.045 -8.205 1.00 3.59 C ATOM 809 O GLY A 68 20.511 -6.042 -9.340 1.00 3.75 O ATOM 0 H GLY A 68 19.208 -4.587 -5.781 1.00 3.41 H new ATOM 0 HA2 GLY A 68 20.833 -4.231 -7.399 1.00 3.61 H new ATOM 0 HA3 GLY A 68 21.693 -5.675 -6.903 1.00 3.61 H new ATOM 813 N GLN A 69 18.947 -6.726 -7.883 1.00 3.41 N ATOM 814 CA GLN A 69 18.208 -7.510 -8.863 1.00 3.39 C ATOM 815 C GLN A 69 16.921 -6.787 -9.237 1.00 3.13 C ATOM 816 O GLN A 69 16.216 -6.285 -8.362 1.00 2.88 O ATOM 817 CB GLN A 69 17.870 -8.892 -8.297 1.00 3.42 C ATOM 818 CG GLN A 69 19.088 -9.739 -7.954 1.00 3.76 C ATOM 819 CD GLN A 69 19.848 -10.194 -9.184 1.00 4.25 C ATOM 820 OE1 GLN A 69 19.285 -10.308 -10.273 1.00 4.42 O ATOM 821 NE2 GLN A 69 21.131 -10.467 -9.018 1.00 4.67 N ATOM 0 H GLN A 69 18.552 -6.751 -6.943 1.00 3.41 H new ATOM 0 HA GLN A 69 18.830 -7.633 -9.750 1.00 3.39 H new ATOM 0 HB2 GLN A 69 17.264 -8.767 -7.400 1.00 3.42 H new ATOM 0 HB3 GLN A 69 17.259 -9.430 -9.022 1.00 3.42 H new ATOM 0 HG2 GLN A 69 19.755 -9.165 -7.311 1.00 3.76 H new ATOM 0 HG3 GLN A 69 18.770 -10.612 -7.385 1.00 3.76 H new ATOM 0 HE21 GLN A 69 21.561 -10.360 -8.099 1.00 4.67 H new ATOM 0 HE22 GLN A 69 21.691 -10.785 -9.809 1.00 4.67 H new ATOM 830 N ARG A 70 16.619 -6.708 -10.526 1.00 3.20 N ATOM 831 CA ARG A 70 15.403 -6.042 -10.961 1.00 2.98 C ATOM 832 C ARG A 70 14.201 -6.957 -10.747 1.00 2.82 C ATOM 833 O ARG A 70 14.223 -8.139 -11.102 1.00 2.96 O ATOM 834 CB ARG A 70 15.505 -5.580 -12.422 1.00 3.12 C ATOM 835 CG ARG A 70 15.492 -6.701 -13.451 1.00 3.34 C ATOM 836 CD ARG A 70 15.710 -6.166 -14.861 1.00 3.51 C ATOM 837 NE ARG A 70 14.673 -5.210 -15.264 1.00 3.29 N ATOM 838 CZ ARG A 70 14.916 -3.962 -15.677 1.00 3.31 C ATOM 839 NH1 ARG A 70 16.163 -3.498 -15.722 1.00 3.55 N ATOM 840 NH2 ARG A 70 13.906 -3.174 -16.040 1.00 3.17 N ATOM 0 H ARG A 70 17.191 -7.092 -11.278 1.00 3.20 H new ATOM 0 HA ARG A 70 15.266 -5.146 -10.355 1.00 2.98 H new ATOM 0 HB2 ARG A 70 14.677 -4.904 -12.633 1.00 3.12 H new ATOM 0 HB3 ARG A 70 16.424 -5.006 -12.543 1.00 3.12 H new ATOM 0 HG2 ARG A 70 16.270 -7.426 -13.211 1.00 3.34 H new ATOM 0 HG3 ARG A 70 14.539 -7.229 -13.404 1.00 3.34 H new ATOM 0 HD2 ARG A 70 16.686 -5.684 -14.917 1.00 3.51 H new ATOM 0 HD3 ARG A 70 15.725 -6.999 -15.564 1.00 3.51 H new ATOM 0 HE ARG A 70 13.701 -5.518 -15.227 1.00 3.29 H new ATOM 0 HH11 ARG A 70 16.940 -4.096 -15.440 1.00 3.55 H new ATOM 0 HH12 ARG A 70 16.341 -2.545 -16.038 1.00 3.55 H new ATOM 0 HH21 ARG A 70 12.948 -3.523 -16.003 1.00 3.17 H new ATOM 0 HH22 ARG A 70 14.090 -2.222 -16.355 1.00 3.17 H new ATOM 854 N ILE A 71 13.169 -6.407 -10.134 1.00 2.55 N ATOM 855 CA ILE A 71 11.955 -7.148 -9.841 1.00 2.38 C ATOM 856 C ILE A 71 11.199 -7.501 -11.116 1.00 2.44 C ATOM 857 O ILE A 71 10.669 -6.625 -11.803 1.00 2.40 O ATOM 858 CB ILE A 71 11.034 -6.346 -8.896 1.00 2.07 C ATOM 859 CG1 ILE A 71 11.701 -6.165 -7.529 1.00 2.04 C ATOM 860 CG2 ILE A 71 9.682 -7.028 -8.746 1.00 1.92 C ATOM 861 CD1 ILE A 71 12.121 -7.466 -6.876 1.00 2.17 C ATOM 0 H ILE A 71 13.148 -5.435 -9.825 1.00 2.55 H new ATOM 0 HA ILE A 71 12.252 -8.073 -9.347 1.00 2.38 H new ATOM 0 HB ILE A 71 10.868 -5.362 -9.335 1.00 2.07 H new ATOM 0 HG12 ILE A 71 12.578 -5.528 -7.645 1.00 2.04 H new ATOM 0 HG13 ILE A 71 11.012 -5.642 -6.865 1.00 2.04 H new ATOM 0 HG21 ILE A 71 9.052 -6.443 -8.076 1.00 1.92 H new ATOM 0 HG22 ILE A 71 9.202 -7.103 -9.722 1.00 1.92 H new ATOM 0 HG23 ILE A 71 9.822 -8.027 -8.333 1.00 1.92 H new ATOM 0 HD11 ILE A 71 12.585 -7.256 -5.912 1.00 2.17 H new ATOM 0 HD12 ILE A 71 11.245 -8.098 -6.727 1.00 2.17 H new ATOM 0 HD13 ILE A 71 12.835 -7.981 -7.518 1.00 2.17 H new ATOM 873 N ALA A 72 11.166 -8.784 -11.438 1.00 2.56 N ATOM 874 CA ALA A 72 10.467 -9.251 -12.620 1.00 2.64 C ATOM 875 C ALA A 72 8.977 -9.384 -12.336 1.00 2.42 C ATOM 876 O ALA A 72 8.566 -9.534 -11.183 1.00 2.27 O ATOM 877 CB ALA A 72 11.041 -10.573 -13.093 1.00 2.89 C ATOM 0 H ALA A 72 11.617 -9.520 -10.895 1.00 2.56 H new ATOM 0 HA ALA A 72 10.603 -8.517 -13.414 1.00 2.64 H new ATOM 0 HB1 ALA A 72 10.503 -10.906 -13.981 1.00 2.89 H new ATOM 0 HB2 ALA A 72 12.096 -10.446 -13.335 1.00 2.89 H new ATOM 0 HB3 ALA A 72 10.937 -11.318 -12.304 1.00 2.89 H new ATOM 883 N ASP A 73 8.177 -9.338 -13.389 1.00 2.44 N ATOM 884 CA ASP A 73 6.725 -9.438 -13.270 1.00 2.28 C ATOM 885 C ASP A 73 6.298 -10.821 -12.798 1.00 2.31 C ATOM 886 O ASP A 73 5.248 -10.981 -12.172 1.00 2.17 O ATOM 887 CB ASP A 73 6.064 -9.126 -14.615 1.00 2.32 C ATOM 888 CG ASP A 73 6.218 -7.673 -15.025 1.00 2.24 C ATOM 889 OD1 ASP A 73 6.707 -6.862 -14.211 1.00 2.32 O ATOM 890 OD2 ASP A 73 5.850 -7.333 -16.169 1.00 2.18 O ATOM 0 H ASP A 73 8.510 -9.231 -14.347 1.00 2.44 H new ATOM 0 HA ASP A 73 6.402 -8.710 -12.526 1.00 2.28 H new ATOM 0 HB2 ASP A 73 6.499 -9.764 -15.385 1.00 2.32 H new ATOM 0 HB3 ASP A 73 5.004 -9.372 -14.559 1.00 2.32 H new ATOM 895 N ASN A 74 7.121 -11.817 -13.079 1.00 2.53 N ATOM 896 CA ASN A 74 6.816 -13.189 -12.695 1.00 2.61 C ATOM 897 C ASN A 74 7.441 -13.544 -11.350 1.00 2.56 C ATOM 898 O ASN A 74 7.473 -14.709 -10.959 1.00 2.62 O ATOM 899 CB ASN A 74 7.288 -14.168 -13.774 1.00 2.89 C ATOM 900 CG ASN A 74 8.797 -14.342 -13.812 1.00 3.10 C ATOM 901 OD1 ASN A 74 9.553 -13.455 -13.418 1.00 3.20 O ATOM 902 ND2 ASN A 74 9.244 -15.489 -14.295 1.00 3.29 N ATOM 0 H ASN A 74 8.007 -11.703 -13.572 1.00 2.53 H new ATOM 0 HA ASN A 74 5.734 -13.270 -12.594 1.00 2.61 H new ATOM 0 HB2 ASN A 74 6.822 -15.138 -13.603 1.00 2.89 H new ATOM 0 HB3 ASN A 74 6.945 -13.817 -14.747 1.00 2.89 H new ATOM 0 HD21 ASN A 74 10.248 -15.662 -14.351 1.00 3.29 H new ATOM 0 HD22 ASN A 74 8.585 -16.200 -14.612 1.00 3.29 H new ATOM 909 N HIS A 75 7.930 -12.537 -10.643 1.00 2.48 N ATOM 910 CA HIS A 75 8.550 -12.755 -9.345 1.00 2.46 C ATOM 911 C HIS A 75 7.524 -12.630 -8.227 1.00 2.21 C ATOM 912 O HIS A 75 6.480 -11.993 -8.388 1.00 2.00 O ATOM 913 CB HIS A 75 9.691 -11.760 -9.115 1.00 2.47 C ATOM 914 CG HIS A 75 10.984 -12.155 -9.756 1.00 2.75 C ATOM 915 ND1 HIS A 75 11.105 -13.120 -10.731 1.00 3.12 N ATOM 916 CD2 HIS A 75 12.241 -11.689 -9.539 1.00 2.97 C ATOM 917 CE1 HIS A 75 12.396 -13.208 -11.072 1.00 3.27 C ATOM 918 NE2 HIS A 75 13.130 -12.357 -10.376 1.00 3.17 N ATOM 0 H HIS A 75 7.910 -11.563 -10.945 1.00 2.48 H new ATOM 0 HA HIS A 75 8.957 -13.766 -9.336 1.00 2.46 H new ATOM 0 HB2 HIS A 75 9.391 -10.785 -9.498 1.00 2.47 H new ATOM 0 HB3 HIS A 75 9.849 -11.646 -8.043 1.00 2.47 H new ATOM 0 HD2 HIS A 75 12.509 -10.921 -8.829 1.00 2.97 H new ATOM 0 HE1 HIS A 75 12.787 -13.885 -11.817 1.00 3.27 H new ATOM 0 HE2 HIS A 75 14.139 -12.219 -10.439 1.00 3.17 H new ATOM 926 N THR A 76 7.829 -13.248 -7.100 1.00 2.27 N ATOM 927 CA THR A 76 6.951 -13.220 -5.943 1.00 2.09 C ATOM 928 C THR A 76 7.764 -13.006 -4.667 1.00 2.05 C ATOM 929 O THR A 76 8.961 -13.284 -4.649 1.00 2.19 O ATOM 930 CB THR A 76 6.157 -14.532 -5.833 1.00 2.22 C ATOM 931 OG1 THR A 76 6.720 -15.519 -6.715 1.00 2.32 O ATOM 932 CG2 THR A 76 4.695 -14.301 -6.182 1.00 2.53 C ATOM 0 H THR A 76 8.688 -13.781 -6.961 1.00 2.27 H new ATOM 0 HA THR A 76 6.251 -12.393 -6.067 1.00 2.09 H new ATOM 0 HB THR A 76 6.217 -14.891 -4.805 1.00 2.22 H new ATOM 0 HG1 THR A 76 6.211 -16.353 -6.640 1.00 2.32 H new ATOM 0 HG21 THR A 76 4.148 -15.240 -6.099 1.00 2.53 H new ATOM 0 HG22 THR A 76 4.268 -13.570 -5.495 1.00 2.53 H new ATOM 0 HG23 THR A 76 4.619 -13.926 -7.203 1.00 2.53 H new ATOM 940 N PRO A 77 7.137 -12.506 -3.583 1.00 1.92 N ATOM 941 CA PRO A 77 7.829 -12.261 -2.306 1.00 1.92 C ATOM 942 C PRO A 77 8.417 -13.538 -1.700 1.00 2.13 C ATOM 943 O PRO A 77 9.307 -13.479 -0.849 1.00 2.21 O ATOM 944 CB PRO A 77 6.730 -11.699 -1.397 1.00 1.76 C ATOM 945 CG PRO A 77 5.675 -11.205 -2.324 1.00 1.66 C ATOM 946 CD PRO A 77 5.719 -12.117 -3.515 1.00 1.81 C ATOM 0 HA PRO A 77 8.678 -11.590 -2.435 1.00 1.92 H new ATOM 0 HB2 PRO A 77 6.340 -12.467 -0.729 1.00 1.76 H new ATOM 0 HB3 PRO A 77 7.111 -10.894 -0.769 1.00 1.76 H new ATOM 0 HG2 PRO A 77 4.694 -11.229 -1.849 1.00 1.66 H new ATOM 0 HG3 PRO A 77 5.863 -10.172 -2.615 1.00 1.66 H new ATOM 0 HD2 PRO A 77 5.069 -12.982 -3.385 1.00 1.81 H new ATOM 0 HD3 PRO A 77 5.396 -11.610 -4.424 1.00 1.81 H new ATOM 954 N LYS A 78 7.915 -14.688 -2.141 1.00 2.23 N ATOM 955 CA LYS A 78 8.391 -15.979 -1.650 1.00 2.44 C ATOM 956 C LYS A 78 9.852 -16.203 -2.035 1.00 2.61 C ATOM 957 O LYS A 78 10.628 -16.776 -1.268 1.00 2.76 O ATOM 958 CB LYS A 78 7.515 -17.111 -2.206 1.00 2.48 C ATOM 959 CG LYS A 78 7.993 -18.514 -1.847 1.00 2.66 C ATOM 960 CD LYS A 78 7.980 -18.756 -0.344 1.00 2.76 C ATOM 961 CE LYS A 78 6.567 -18.748 0.224 1.00 2.73 C ATOM 962 NZ LYS A 78 6.536 -19.194 1.642 1.00 2.92 N ATOM 0 H LYS A 78 7.175 -14.753 -2.841 1.00 2.23 H new ATOM 0 HA LYS A 78 8.322 -15.979 -0.562 1.00 2.44 H new ATOM 0 HB2 LYS A 78 6.498 -16.982 -1.836 1.00 2.48 H new ATOM 0 HB3 LYS A 78 7.473 -17.022 -3.292 1.00 2.48 H new ATOM 0 HG2 LYS A 78 7.356 -19.250 -2.338 1.00 2.66 H new ATOM 0 HG3 LYS A 78 9.003 -18.661 -2.229 1.00 2.66 H new ATOM 0 HD2 LYS A 78 8.452 -19.714 -0.127 1.00 2.76 H new ATOM 0 HD3 LYS A 78 8.574 -17.988 0.152 1.00 2.76 H new ATOM 0 HE2 LYS A 78 6.152 -17.743 0.151 1.00 2.73 H new ATOM 0 HE3 LYS A 78 5.931 -19.400 -0.375 1.00 2.73 H new ATOM 0 HZ1 LYS A 78 5.556 -19.174 1.991 1.00 2.92 H new ATOM 0 HZ2 LYS A 78 6.908 -20.163 1.709 1.00 2.92 H new ATOM 0 HZ3 LYS A 78 7.122 -18.557 2.219 1.00 2.92 H new ATOM 976 N GLU A 79 10.224 -15.734 -3.216 1.00 2.62 N ATOM 977 CA GLU A 79 11.588 -15.886 -3.697 1.00 2.81 C ATOM 978 C GLU A 79 12.405 -14.640 -3.373 1.00 2.76 C ATOM 979 O GLU A 79 11.878 -13.679 -2.806 1.00 2.60 O ATOM 980 CB GLU A 79 11.597 -16.168 -5.202 1.00 2.89 C ATOM 981 CG GLU A 79 11.047 -15.029 -6.046 1.00 2.73 C ATOM 982 CD GLU A 79 10.582 -15.486 -7.409 1.00 2.84 C ATOM 983 OE1 GLU A 79 11.436 -15.887 -8.229 1.00 3.18 O ATOM 984 OE2 GLU A 79 9.363 -15.449 -7.668 1.00 2.70 O ATOM 0 H GLU A 79 9.601 -15.245 -3.859 1.00 2.62 H new ATOM 0 HA GLU A 79 12.045 -16.736 -3.190 1.00 2.81 H new ATOM 0 HB2 GLU A 79 12.619 -16.379 -5.516 1.00 2.89 H new ATOM 0 HB3 GLU A 79 11.012 -17.067 -5.397 1.00 2.89 H new ATOM 0 HG2 GLU A 79 10.214 -14.562 -5.520 1.00 2.73 H new ATOM 0 HG3 GLU A 79 11.817 -14.266 -6.166 1.00 2.73 H new ATOM 991 N LEU A 80 13.697 -14.681 -3.707 1.00 2.91 N ATOM 992 CA LEU A 80 14.622 -13.564 -3.471 1.00 2.90 C ATOM 993 C LEU A 80 14.917 -13.372 -1.982 1.00 2.89 C ATOM 994 O LEU A 80 15.805 -12.601 -1.616 1.00 3.04 O ATOM 995 CB LEU A 80 14.080 -12.256 -4.061 1.00 2.74 C ATOM 996 CG LEU A 80 14.042 -12.193 -5.586 1.00 2.80 C ATOM 997 CD1 LEU A 80 13.216 -11.003 -6.044 1.00 2.70 C ATOM 998 CD2 LEU A 80 15.450 -12.109 -6.155 1.00 2.94 C ATOM 0 H LEU A 80 14.134 -15.489 -4.149 1.00 2.91 H new ATOM 0 HA LEU A 80 15.553 -13.821 -3.975 1.00 2.90 H new ATOM 0 HB2 LEU A 80 13.070 -12.097 -3.682 1.00 2.74 H new ATOM 0 HB3 LEU A 80 14.691 -11.431 -3.695 1.00 2.74 H new ATOM 0 HG LEU A 80 13.576 -13.106 -5.956 1.00 2.80 H new ATOM 0 HD11 LEU A 80 13.198 -10.971 -7.133 1.00 2.70 H new ATOM 0 HD12 LEU A 80 12.198 -11.100 -5.667 1.00 2.70 H new ATOM 0 HD13 LEU A 80 13.659 -10.084 -5.661 1.00 2.70 H new ATOM 0 HD21 LEU A 80 15.401 -12.065 -7.243 1.00 2.94 H new ATOM 0 HD22 LEU A 80 15.942 -11.213 -5.778 1.00 2.94 H new ATOM 0 HD23 LEU A 80 16.018 -12.989 -5.853 1.00 2.94 H new ATOM 1010 N GLY A 81 14.180 -14.075 -1.130 1.00 2.76 N ATOM 1011 CA GLY A 81 14.380 -13.958 0.299 1.00 2.76 C ATOM 1012 C GLY A 81 13.900 -12.622 0.832 1.00 2.56 C ATOM 1013 O GLY A 81 14.588 -11.977 1.622 1.00 2.57 O ATOM 0 H GLY A 81 13.445 -14.726 -1.407 1.00 2.76 H new ATOM 0 HA2 GLY A 81 13.849 -14.763 0.807 1.00 2.76 H new ATOM 0 HA3 GLY A 81 15.439 -14.081 0.528 1.00 2.76 H new ATOM 1017 N MET A 82 12.723 -12.198 0.388 1.00 2.41 N ATOM 1018 CA MET A 82 12.149 -10.931 0.828 1.00 2.23 C ATOM 1019 C MET A 82 11.706 -11.019 2.282 1.00 2.23 C ATOM 1020 O MET A 82 11.151 -12.033 2.706 1.00 2.28 O ATOM 1021 CB MET A 82 10.959 -10.541 -0.053 1.00 2.05 C ATOM 1022 CG MET A 82 11.362 -9.933 -1.382 1.00 2.27 C ATOM 1023 SD MET A 82 9.957 -9.273 -2.293 1.00 2.05 S ATOM 1024 CE MET A 82 10.794 -8.228 -3.483 1.00 2.01 C ATOM 0 H MET A 82 12.146 -12.713 -0.277 1.00 2.41 H new ATOM 0 HA MET A 82 12.919 -10.165 0.739 1.00 2.23 H new ATOM 0 HB2 MET A 82 10.349 -11.425 -0.237 1.00 2.05 H new ATOM 0 HB3 MET A 82 10.335 -9.830 0.488 1.00 2.05 H new ATOM 0 HG2 MET A 82 12.085 -9.136 -1.209 1.00 2.27 H new ATOM 0 HG3 MET A 82 11.860 -10.690 -1.988 1.00 2.27 H new ATOM 0 HE1 MET A 82 10.057 -7.745 -4.125 1.00 2.01 H new ATOM 0 HE2 MET A 82 11.371 -7.467 -2.957 1.00 2.01 H new ATOM 0 HE3 MET A 82 11.464 -8.835 -4.092 1.00 2.01 H new ATOM 1034 N GLU A 83 11.965 -9.968 3.048 1.00 2.20 N ATOM 1035 CA GLU A 83 11.583 -9.941 4.450 1.00 2.22 C ATOM 1036 C GLU A 83 10.779 -8.685 4.763 1.00 2.07 C ATOM 1037 O GLU A 83 10.681 -7.777 3.937 1.00 1.91 O ATOM 1038 CB GLU A 83 12.821 -9.989 5.352 1.00 2.42 C ATOM 1039 CG GLU A 83 13.647 -11.253 5.198 1.00 2.73 C ATOM 1040 CD GLU A 83 14.705 -11.388 6.273 1.00 2.98 C ATOM 1041 OE1 GLU A 83 15.725 -10.668 6.210 1.00 2.89 O ATOM 1042 OE2 GLU A 83 14.517 -12.215 7.193 1.00 3.44 O ATOM 0 H GLU A 83 12.437 -9.125 2.721 1.00 2.20 H new ATOM 0 HA GLU A 83 10.967 -10.819 4.644 1.00 2.22 H new ATOM 0 HB2 GLU A 83 13.451 -9.127 5.134 1.00 2.42 H new ATOM 0 HB3 GLU A 83 12.505 -9.898 6.391 1.00 2.42 H new ATOM 0 HG2 GLU A 83 12.988 -12.120 5.230 1.00 2.73 H new ATOM 0 HG3 GLU A 83 14.126 -11.253 4.219 1.00 2.73 H new ATOM 1049 N GLU A 84 10.204 -8.648 5.956 1.00 2.15 N ATOM 1050 CA GLU A 84 9.425 -7.507 6.410 1.00 2.07 C ATOM 1051 C GLU A 84 10.353 -6.321 6.650 1.00 2.08 C ATOM 1052 O GLU A 84 11.475 -6.503 7.134 1.00 2.22 O ATOM 1053 CB GLU A 84 8.669 -7.877 7.695 1.00 2.20 C ATOM 1054 CG GLU A 84 8.065 -6.694 8.438 1.00 2.18 C ATOM 1055 CD GLU A 84 6.921 -6.042 7.693 1.00 2.10 C ATOM 1056 OE1 GLU A 84 6.098 -6.768 7.098 1.00 2.34 O ATOM 1057 OE2 GLU A 84 6.828 -4.796 7.716 1.00 2.01 O ATOM 0 H GLU A 84 10.264 -9.407 6.635 1.00 2.15 H new ATOM 0 HA GLU A 84 8.696 -7.230 5.648 1.00 2.07 H new ATOM 0 HB2 GLU A 84 7.872 -8.576 7.443 1.00 2.20 H new ATOM 0 HB3 GLU A 84 9.352 -8.400 8.365 1.00 2.20 H new ATOM 0 HG2 GLU A 84 7.711 -7.028 9.413 1.00 2.18 H new ATOM 0 HG3 GLU A 84 8.842 -5.952 8.618 1.00 2.18 H new ATOM 1064 N GLU A 85 9.894 -5.124 6.285 1.00 1.98 N ATOM 1065 CA GLU A 85 10.674 -3.894 6.448 1.00 2.01 C ATOM 1066 C GLU A 85 11.854 -3.856 5.484 1.00 2.02 C ATOM 1067 O GLU A 85 12.815 -3.116 5.696 1.00 2.18 O ATOM 1068 CB GLU A 85 11.178 -3.744 7.889 1.00 2.22 C ATOM 1069 CG GLU A 85 10.135 -3.203 8.846 1.00 2.32 C ATOM 1070 CD GLU A 85 9.937 -1.711 8.704 1.00 2.36 C ATOM 1071 OE1 GLU A 85 10.908 -0.955 8.914 1.00 2.55 O ATOM 1072 OE2 GLU A 85 8.808 -1.284 8.395 1.00 2.47 O ATOM 0 H GLU A 85 8.974 -4.978 5.869 1.00 1.98 H new ATOM 0 HA GLU A 85 10.010 -3.060 6.220 1.00 2.01 H new ATOM 0 HB2 GLU A 85 11.519 -4.715 8.248 1.00 2.22 H new ATOM 0 HB3 GLU A 85 12.043 -3.080 7.895 1.00 2.22 H new ATOM 0 HG2 GLU A 85 9.187 -3.710 8.669 1.00 2.32 H new ATOM 0 HG3 GLU A 85 10.433 -3.431 9.869 1.00 2.32 H new ATOM 1079 N ASP A 86 11.786 -4.652 4.422 1.00 1.90 N ATOM 1080 CA ASP A 86 12.858 -4.678 3.438 1.00 1.96 C ATOM 1081 C ASP A 86 12.815 -3.416 2.589 1.00 1.88 C ATOM 1082 O ASP A 86 11.786 -2.746 2.518 1.00 1.79 O ATOM 1083 CB ASP A 86 12.766 -5.915 2.549 1.00 1.93 C ATOM 1084 CG ASP A 86 14.112 -6.582 2.372 1.00 2.12 C ATOM 1085 OD1 ASP A 86 15.061 -5.909 1.906 1.00 2.17 O ATOM 1086 OD2 ASP A 86 14.236 -7.778 2.714 1.00 2.28 O ATOM 0 H ASP A 86 11.008 -5.281 4.223 1.00 1.90 H new ATOM 0 HA ASP A 86 13.807 -4.720 3.972 1.00 1.96 H new ATOM 0 HB2 ASP A 86 12.063 -6.625 2.986 1.00 1.93 H new ATOM 0 HB3 ASP A 86 12.369 -5.633 1.574 1.00 1.93 H new ATOM 1091 N VAL A 87 13.920 -3.109 1.934 1.00 1.97 N ATOM 1092 CA VAL A 87 14.013 -1.905 1.123 1.00 1.94 C ATOM 1093 C VAL A 87 14.029 -2.221 -0.368 1.00 1.94 C ATOM 1094 O VAL A 87 14.771 -3.092 -0.825 1.00 2.10 O ATOM 1095 CB VAL A 87 15.278 -1.095 1.486 1.00 2.13 C ATOM 1096 CG1 VAL A 87 15.395 0.154 0.626 1.00 2.18 C ATOM 1097 CG2 VAL A 87 15.272 -0.727 2.963 1.00 2.19 C ATOM 0 H VAL A 87 14.767 -3.677 1.947 1.00 1.97 H new ATOM 0 HA VAL A 87 13.124 -1.312 1.339 1.00 1.94 H new ATOM 0 HB VAL A 87 16.147 -1.723 1.288 1.00 2.13 H new ATOM 0 HG11 VAL A 87 16.294 0.704 0.904 1.00 2.18 H new ATOM 0 HG12 VAL A 87 15.454 -0.132 -0.424 1.00 2.18 H new ATOM 0 HG13 VAL A 87 14.521 0.786 0.781 1.00 2.18 H new ATOM 0 HG21 VAL A 87 16.170 -0.157 3.200 1.00 2.19 H new ATOM 0 HG22 VAL A 87 14.391 -0.124 3.184 1.00 2.19 H new ATOM 0 HG23 VAL A 87 15.250 -1.636 3.564 1.00 2.19 H new ATOM 1107 N ILE A 88 13.193 -1.517 -1.116 1.00 1.78 N ATOM 1108 CA ILE A 88 13.122 -1.680 -2.557 1.00 1.80 C ATOM 1109 C ILE A 88 13.307 -0.314 -3.213 1.00 1.86 C ATOM 1110 O ILE A 88 12.694 0.670 -2.802 1.00 1.79 O ATOM 1111 CB ILE A 88 11.790 -2.341 -2.999 1.00 1.61 C ATOM 1112 CG1 ILE A 88 11.757 -2.524 -4.518 1.00 1.67 C ATOM 1113 CG2 ILE A 88 10.589 -1.532 -2.530 1.00 1.44 C ATOM 1114 CD1 ILE A 88 10.606 -3.383 -4.999 1.00 1.52 C ATOM 0 H ILE A 88 12.548 -0.820 -0.742 1.00 1.78 H new ATOM 0 HA ILE A 88 13.918 -2.352 -2.878 1.00 1.80 H new ATOM 0 HB ILE A 88 11.734 -3.324 -2.531 1.00 1.61 H new ATOM 0 HG12 ILE A 88 11.692 -1.545 -4.992 1.00 1.67 H new ATOM 0 HG13 ILE A 88 12.696 -2.974 -4.842 1.00 1.67 H new ATOM 0 HG21 ILE A 88 9.671 -2.021 -2.856 1.00 1.44 H new ATOM 0 HG22 ILE A 88 10.598 -1.465 -1.442 1.00 1.44 H new ATOM 0 HG23 ILE A 88 10.637 -0.530 -2.956 1.00 1.44 H new ATOM 0 HD11 ILE A 88 10.646 -3.469 -6.085 1.00 1.52 H new ATOM 0 HD12 ILE A 88 10.681 -4.375 -4.553 1.00 1.52 H new ATOM 0 HD13 ILE A 88 9.662 -2.924 -4.706 1.00 1.52 H new ATOM 1126 N GLU A 89 14.178 -0.245 -4.205 1.00 2.04 N ATOM 1127 CA GLU A 89 14.461 1.012 -4.877 1.00 2.14 C ATOM 1128 C GLU A 89 13.766 1.096 -6.232 1.00 2.11 C ATOM 1129 O GLU A 89 13.741 0.127 -6.988 1.00 2.11 O ATOM 1130 CB GLU A 89 15.971 1.178 -5.045 1.00 2.41 C ATOM 1131 CG GLU A 89 16.736 1.168 -3.731 1.00 2.43 C ATOM 1132 CD GLU A 89 18.238 1.107 -3.924 1.00 2.68 C ATOM 1133 OE1 GLU A 89 18.714 1.422 -5.034 1.00 2.90 O ATOM 1134 OE2 GLU A 89 18.952 0.738 -2.969 1.00 2.87 O ATOM 0 H GLU A 89 14.701 -1.044 -4.563 1.00 2.04 H new ATOM 0 HA GLU A 89 14.072 1.821 -4.259 1.00 2.14 H new ATOM 0 HB2 GLU A 89 16.347 0.377 -5.681 1.00 2.41 H new ATOM 0 HB3 GLU A 89 16.169 2.116 -5.564 1.00 2.41 H new ATOM 0 HG2 GLU A 89 16.484 2.063 -3.163 1.00 2.43 H new ATOM 0 HG3 GLU A 89 16.416 0.312 -3.136 1.00 2.43 H new ATOM 1141 N VAL A 90 13.201 2.259 -6.526 1.00 2.12 N ATOM 1142 CA VAL A 90 12.510 2.482 -7.793 1.00 2.12 C ATOM 1143 C VAL A 90 13.156 3.644 -8.553 1.00 2.32 C ATOM 1144 O VAL A 90 13.329 4.739 -8.010 1.00 2.36 O ATOM 1145 CB VAL A 90 11.000 2.751 -7.576 1.00 1.93 C ATOM 1146 CG1 VAL A 90 10.772 3.897 -6.600 1.00 1.92 C ATOM 1147 CG2 VAL A 90 10.300 3.032 -8.900 1.00 1.94 C ATOM 0 H VAL A 90 13.207 3.067 -5.903 1.00 2.12 H new ATOM 0 HA VAL A 90 12.603 1.574 -8.389 1.00 2.12 H new ATOM 0 HB VAL A 90 10.568 1.849 -7.142 1.00 1.93 H new ATOM 0 HG11 VAL A 90 9.702 4.058 -6.472 1.00 1.92 H new ATOM 0 HG12 VAL A 90 11.220 3.650 -5.638 1.00 1.92 H new ATOM 0 HG13 VAL A 90 11.231 4.805 -6.991 1.00 1.92 H new ATOM 0 HG21 VAL A 90 9.241 3.217 -8.720 1.00 1.94 H new ATOM 0 HG22 VAL A 90 10.747 3.908 -9.369 1.00 1.94 H new ATOM 0 HG23 VAL A 90 10.410 2.171 -9.560 1.00 1.94 H new ATOM 1157 N TYR A 91 13.532 3.402 -9.805 1.00 2.46 N ATOM 1158 CA TYR A 91 14.173 4.428 -10.618 1.00 2.66 C ATOM 1159 C TYR A 91 13.539 4.508 -11.997 1.00 2.72 C ATOM 1160 O TYR A 91 12.883 3.570 -12.439 1.00 2.67 O ATOM 1161 CB TYR A 91 15.670 4.145 -10.747 1.00 2.86 C ATOM 1162 CG TYR A 91 16.370 4.077 -9.414 1.00 2.85 C ATOM 1163 CD1 TYR A 91 16.521 5.215 -8.639 1.00 2.89 C ATOM 1164 CD2 TYR A 91 16.857 2.875 -8.922 1.00 2.82 C ATOM 1165 CE1 TYR A 91 17.140 5.162 -7.410 1.00 2.92 C ATOM 1166 CE2 TYR A 91 17.477 2.812 -7.691 1.00 2.84 C ATOM 1167 CZ TYR A 91 17.615 3.960 -6.941 1.00 2.89 C ATOM 1168 OH TYR A 91 18.227 3.904 -5.713 1.00 2.94 O ATOM 0 H TYR A 91 13.404 2.507 -10.277 1.00 2.46 H new ATOM 0 HA TYR A 91 14.033 5.388 -10.120 1.00 2.66 H new ATOM 0 HB2 TYR A 91 15.812 3.202 -11.275 1.00 2.86 H new ATOM 0 HB3 TYR A 91 16.131 4.924 -11.355 1.00 2.86 H new ATOM 0 HD1 TYR A 91 16.147 6.160 -9.005 1.00 2.89 H new ATOM 0 HD2 TYR A 91 16.749 1.976 -9.511 1.00 2.82 H new ATOM 0 HE1 TYR A 91 17.252 6.059 -6.818 1.00 2.92 H new ATOM 0 HE2 TYR A 91 17.851 1.870 -7.318 1.00 2.84 H new ATOM 0 HH TYR A 91 18.776 3.094 -5.658 1.00 2.94 H new ATOM 1178 N GLN A 92 13.749 5.623 -12.673 1.00 2.84 N ATOM 1179 CA GLN A 92 13.191 5.836 -14.000 1.00 2.93 C ATOM 1180 C GLN A 92 14.040 5.150 -15.065 1.00 3.14 C ATOM 1181 O GLN A 92 15.268 5.226 -15.038 1.00 3.31 O ATOM 1182 CB GLN A 92 13.106 7.334 -14.291 1.00 3.07 C ATOM 1183 CG GLN A 92 12.064 7.706 -15.336 1.00 3.13 C ATOM 1184 CD GLN A 92 11.970 9.203 -15.561 1.00 3.36 C ATOM 1185 OE1 GLN A 92 13.089 9.899 -15.420 1.00 3.44 O flip ATOM 1186 NE2 GLN A 92 10.899 9.731 -15.860 1.00 3.63 N flip ATOM 0 H GLN A 92 14.306 6.402 -12.323 1.00 2.84 H new ATOM 0 HA GLN A 92 12.191 5.402 -14.026 1.00 2.93 H new ATOM 0 HB2 GLN A 92 12.880 7.861 -13.364 1.00 3.07 H new ATOM 0 HB3 GLN A 92 14.082 7.684 -14.626 1.00 3.07 H new ATOM 0 HG2 GLN A 92 12.309 7.216 -16.278 1.00 3.13 H new ATOM 0 HG3 GLN A 92 11.091 7.328 -15.023 1.00 3.13 H new ATOM 0 HE21 GLN A 92 10.059 9.161 -15.959 1.00 3.63 H new ATOM 0 HE22 GLN A 92 10.851 10.739 -16.009 1.00 3.63 H new ATOM 1195 N GLU A 93 13.381 4.475 -15.993 1.00 3.15 N ATOM 1196 CA GLU A 93 14.070 3.787 -17.074 1.00 3.36 C ATOM 1197 C GLU A 93 14.367 4.764 -18.207 1.00 3.61 C ATOM 1198 O GLU A 93 13.602 5.700 -18.446 1.00 3.61 O ATOM 1199 CB GLU A 93 13.224 2.618 -17.584 1.00 3.31 C ATOM 1200 CG GLU A 93 13.082 1.488 -16.576 1.00 3.20 C ATOM 1201 CD GLU A 93 14.228 0.498 -16.639 1.00 3.30 C ATOM 1202 OE1 GLU A 93 15.358 0.863 -16.246 1.00 3.36 O ATOM 1203 OE2 GLU A 93 14.006 -0.653 -17.077 1.00 3.35 O ATOM 0 H GLU A 93 12.365 4.388 -16.019 1.00 3.15 H new ATOM 0 HA GLU A 93 15.013 3.391 -16.697 1.00 3.36 H new ATOM 0 HB2 GLU A 93 12.232 2.985 -17.848 1.00 3.31 H new ATOM 0 HB3 GLU A 93 13.673 2.226 -18.497 1.00 3.31 H new ATOM 0 HG2 GLU A 93 13.025 1.908 -15.572 1.00 3.20 H new ATOM 0 HG3 GLU A 93 12.144 0.963 -16.755 1.00 3.20 H new ATOM 1210 N GLN A 94 15.473 4.538 -18.908 1.00 3.83 N ATOM 1211 CA GLN A 94 15.875 5.405 -20.009 1.00 4.09 C ATOM 1212 C GLN A 94 14.901 5.314 -21.183 1.00 4.17 C ATOM 1213 O GLN A 94 14.778 6.252 -21.968 1.00 4.33 O ATOM 1214 CB GLN A 94 17.290 5.056 -20.475 1.00 4.34 C ATOM 1215 CG GLN A 94 18.381 5.640 -19.592 1.00 4.61 C ATOM 1216 CD GLN A 94 19.777 5.323 -20.096 1.00 4.80 C ATOM 1217 OE1 GLN A 94 20.334 6.054 -20.918 1.00 4.90 O ATOM 1218 NE2 GLN A 94 20.354 4.239 -19.611 1.00 4.92 N ATOM 0 H GLN A 94 16.108 3.760 -18.732 1.00 3.83 H new ATOM 0 HA GLN A 94 15.861 6.430 -19.640 1.00 4.09 H new ATOM 0 HB2 GLN A 94 17.398 3.972 -20.503 1.00 4.34 H new ATOM 0 HB3 GLN A 94 17.427 5.416 -21.495 1.00 4.34 H new ATOM 0 HG2 GLN A 94 18.257 6.721 -19.536 1.00 4.61 H new ATOM 0 HG3 GLN A 94 18.269 5.253 -18.579 1.00 4.61 H new ATOM 0 HE21 GLN A 94 19.861 3.659 -18.932 1.00 4.92 H new ATOM 0 HE22 GLN A 94 21.293 3.981 -19.915 1.00 4.92 H new ATOM 1227 N THR A 95 14.215 4.185 -21.302 1.00 4.08 N ATOM 1228 CA THR A 95 13.260 3.984 -22.383 1.00 4.17 C ATOM 1229 C THR A 95 11.991 4.798 -22.164 1.00 4.00 C ATOM 1230 O THR A 95 11.371 5.263 -23.118 1.00 4.17 O ATOM 1231 CB THR A 95 12.876 2.500 -22.515 1.00 4.11 C ATOM 1232 OG1 THR A 95 12.983 1.853 -21.240 1.00 3.88 O ATOM 1233 CG2 THR A 95 13.768 1.796 -23.524 1.00 4.41 C ATOM 0 H THR A 95 14.302 3.395 -20.663 1.00 4.08 H new ATOM 0 HA THR A 95 13.748 4.318 -23.298 1.00 4.17 H new ATOM 0 HB THR A 95 11.846 2.443 -22.867 1.00 4.11 H new ATOM 0 HG1 THR A 95 12.736 0.909 -21.330 1.00 3.88 H new ATOM 0 HG21 THR A 95 13.476 0.748 -23.599 1.00 4.41 H new ATOM 0 HG22 THR A 95 13.662 2.273 -24.498 1.00 4.41 H new ATOM 0 HG23 THR A 95 14.806 1.861 -23.199 1.00 4.41 H new ATOM 1241 N GLY A 96 11.612 4.971 -20.902 1.00 3.73 N ATOM 1242 CA GLY A 96 10.408 5.716 -20.584 1.00 3.60 C ATOM 1243 C GLY A 96 9.167 4.853 -20.670 1.00 3.42 C ATOM 1244 O GLY A 96 8.045 5.342 -20.528 1.00 3.37 O ATOM 0 H GLY A 96 12.117 4.608 -20.094 1.00 3.73 H new ATOM 0 HA2 GLY A 96 10.493 6.130 -19.579 1.00 3.60 H new ATOM 0 HA3 GLY A 96 10.312 6.559 -21.269 1.00 3.60 H new ATOM 1248 N GLY A 97 9.371 3.561 -20.896 1.00 3.39 N ATOM 1249 CA GLY A 97 8.265 2.637 -20.997 1.00 3.25 C ATOM 1250 C GLY A 97 7.902 2.346 -22.437 1.00 3.46 C ATOM 1251 O GLY A 97 6.758 1.926 -22.696 1.00 3.54 O ATOM 1252 OXT GLY A 97 8.760 2.545 -23.327 1.00 3.68 O ATOM 0 H GLY A 97 10.292 3.137 -21.011 1.00 3.39 H new ATOM 0 HA2 GLY A 97 8.523 1.706 -20.492 1.00 3.25 H new ATOM 0 HA3 GLY A 97 7.399 3.050 -20.481 1.00 3.25 H new TER 1256 GLY A 97 ATOM 1257 N LYS B 1 5.304 8.965 10.072 1.00 3.70 N ATOM 1258 CA LYS B 1 4.944 7.681 9.433 1.00 3.56 C ATOM 1259 C LYS B 1 4.520 7.902 7.990 1.00 2.96 C ATOM 1260 O LYS B 1 3.570 8.637 7.722 1.00 3.20 O ATOM 1261 CB LYS B 1 3.811 6.995 10.197 1.00 4.36 C ATOM 1262 CG LYS B 1 4.277 6.222 11.420 1.00 5.08 C ATOM 1263 CD LYS B 1 3.137 5.447 12.068 1.00 5.92 C ATOM 1264 CE LYS B 1 2.590 4.370 11.145 1.00 6.64 C ATOM 1265 NZ LYS B 1 1.740 3.389 11.873 1.00 7.46 N ATOM 0 H1 LYS B 1 5.591 8.794 11.057 1.00 3.70 H new ATOM 0 H2 LYS B 1 6.092 9.402 9.553 1.00 3.70 H new ATOM 0 H3 LYS B 1 4.483 9.603 10.056 1.00 3.70 H new ATOM 0 HA LYS B 1 5.825 7.040 9.453 1.00 3.56 H new ATOM 0 HB2 LYS B 1 3.087 7.748 10.509 1.00 4.36 H new ATOM 0 HB3 LYS B 1 3.292 6.313 9.524 1.00 4.36 H new ATOM 0 HG2 LYS B 1 5.069 5.531 11.133 1.00 5.08 H new ATOM 0 HG3 LYS B 1 4.705 6.914 12.146 1.00 5.08 H new ATOM 0 HD2 LYS B 1 3.488 4.989 12.993 1.00 5.92 H new ATOM 0 HD3 LYS B 1 2.336 6.136 12.337 1.00 5.92 H new ATOM 0 HE2 LYS B 1 2.007 4.836 10.351 1.00 6.64 H new ATOM 0 HE3 LYS B 1 3.419 3.847 10.667 1.00 6.64 H new ATOM 0 HZ1 LYS B 1 1.388 2.673 11.206 1.00 7.46 H new ATOM 0 HZ2 LYS B 1 2.303 2.925 12.615 1.00 7.46 H new ATOM 0 HZ3 LYS B 1 0.935 3.883 12.308 1.00 7.46 H new ATOM 1281 N VAL B 2 5.225 7.263 7.072 1.00 2.52 N ATOM 1282 CA VAL B 2 4.929 7.378 5.654 1.00 2.19 C ATOM 1283 C VAL B 2 3.703 6.542 5.304 1.00 2.16 C ATOM 1284 O VAL B 2 3.420 5.532 5.954 1.00 2.32 O ATOM 1285 CB VAL B 2 6.135 6.968 4.781 1.00 2.29 C ATOM 1286 CG1 VAL B 2 7.349 7.817 5.129 1.00 2.65 C ATOM 1287 CG2 VAL B 2 6.458 5.493 4.940 1.00 2.60 C ATOM 0 H VAL B 2 6.014 6.653 7.287 1.00 2.52 H new ATOM 0 HA VAL B 2 4.717 8.426 5.442 1.00 2.19 H new ATOM 0 HB VAL B 2 5.869 7.140 3.738 1.00 2.29 H new ATOM 0 HG11 VAL B 2 8.192 7.518 4.507 1.00 2.65 H new ATOM 0 HG12 VAL B 2 7.121 8.868 4.951 1.00 2.65 H new ATOM 0 HG13 VAL B 2 7.604 7.674 6.179 1.00 2.65 H new ATOM 0 HG21 VAL B 2 7.312 5.238 4.312 1.00 2.60 H new ATOM 0 HG22 VAL B 2 6.699 5.284 5.982 1.00 2.60 H new ATOM 0 HG23 VAL B 2 5.596 4.897 4.640 1.00 2.60 H new ATOM 1297 N ASP B 3 2.967 6.983 4.300 1.00 2.10 N ATOM 1298 CA ASP B 3 1.750 6.302 3.873 1.00 2.09 C ATOM 1299 C ASP B 3 2.065 4.932 3.277 1.00 1.88 C ATOM 1300 O ASP B 3 3.042 4.773 2.541 1.00 1.83 O ATOM 1301 CB ASP B 3 1.014 7.167 2.847 1.00 2.18 C ATOM 1302 CG ASP B 3 -0.285 6.547 2.372 1.00 2.18 C ATOM 1303 OD1 ASP B 3 -1.210 6.396 3.197 1.00 2.50 O ATOM 1304 OD2 ASP B 3 -0.383 6.196 1.179 1.00 2.25 O ATOM 0 H ASP B 3 3.191 7.818 3.758 1.00 2.10 H new ATOM 0 HA ASP B 3 1.114 6.149 4.745 1.00 2.09 H new ATOM 0 HB2 ASP B 3 0.805 8.143 3.286 1.00 2.18 H new ATOM 0 HB3 ASP B 3 1.665 7.336 1.989 1.00 2.18 H new ATOM 1309 N VAL B 4 1.241 3.948 3.613 1.00 1.82 N ATOM 1310 CA VAL B 4 1.418 2.595 3.135 1.00 1.66 C ATOM 1311 C VAL B 4 0.385 2.272 2.059 1.00 1.67 C ATOM 1312 O VAL B 4 -0.818 2.446 2.255 1.00 1.80 O ATOM 1313 CB VAL B 4 1.324 1.590 4.301 1.00 1.71 C ATOM 1314 CG1 VAL B 4 -0.035 1.651 4.974 1.00 2.13 C ATOM 1315 CG2 VAL B 4 1.631 0.188 3.817 1.00 2.04 C ATOM 0 H VAL B 4 0.434 4.071 4.224 1.00 1.82 H new ATOM 0 HA VAL B 4 2.411 2.511 2.694 1.00 1.66 H new ATOM 0 HB VAL B 4 2.069 1.866 5.047 1.00 1.71 H new ATOM 0 HG11 VAL B 4 -0.069 0.931 5.791 1.00 2.13 H new ATOM 0 HG12 VAL B 4 -0.202 2.654 5.367 1.00 2.13 H new ATOM 0 HG13 VAL B 4 -0.812 1.412 4.248 1.00 2.13 H new ATOM 0 HG21 VAL B 4 1.560 -0.509 4.652 1.00 2.04 H new ATOM 0 HG22 VAL B 4 0.915 -0.096 3.046 1.00 2.04 H new ATOM 0 HG23 VAL B 4 2.639 0.158 3.404 1.00 2.04 H new ATOM 1325 N ILE B 5 0.863 1.845 0.902 1.00 1.55 N ATOM 1326 CA ILE B 5 -0.022 1.494 -0.195 1.00 1.57 C ATOM 1327 C ILE B 5 -0.651 0.135 0.077 1.00 1.50 C ATOM 1328 O ILE B 5 0.056 -0.861 0.225 1.00 1.31 O ATOM 1329 CB ILE B 5 0.723 1.449 -1.547 1.00 1.47 C ATOM 1330 CG1 ILE B 5 1.762 2.572 -1.635 1.00 1.55 C ATOM 1331 CG2 ILE B 5 -0.267 1.556 -2.696 1.00 1.58 C ATOM 1332 CD1 ILE B 5 2.627 2.505 -2.875 1.00 1.61 C ATOM 0 H ILE B 5 1.856 1.733 0.699 1.00 1.55 H new ATOM 0 HA ILE B 5 -0.790 2.264 -0.261 1.00 1.57 H new ATOM 0 HB ILE B 5 1.245 0.495 -1.618 1.00 1.47 H new ATOM 0 HG12 ILE B 5 1.248 3.533 -1.613 1.00 1.55 H new ATOM 0 HG13 ILE B 5 2.402 2.533 -0.754 1.00 1.55 H new ATOM 0 HG21 ILE B 5 0.271 1.523 -3.644 1.00 1.58 H new ATOM 0 HG22 ILE B 5 -0.970 0.725 -2.649 1.00 1.58 H new ATOM 0 HG23 ILE B 5 -0.812 2.497 -2.620 1.00 1.58 H new ATOM 0 HD11 ILE B 5 3.338 3.331 -2.868 1.00 1.61 H new ATOM 0 HD12 ILE B 5 3.169 1.560 -2.890 1.00 1.61 H new ATOM 0 HD13 ILE B 5 1.997 2.576 -3.762 1.00 1.61 H new ATOM 1344 N ASP B 6 -1.973 0.098 0.168 1.00 1.74 N ATOM 1345 CA ASP B 6 -2.681 -1.150 0.438 1.00 1.77 C ATOM 1346 C ASP B 6 -2.888 -1.930 -0.837 1.00 1.63 C ATOM 1347 O ASP B 6 -3.727 -1.571 -1.664 1.00 1.75 O ATOM 1348 CB ASP B 6 -4.049 -0.897 1.066 1.00 2.16 C ATOM 1349 CG ASP B 6 -3.988 -0.081 2.336 1.00 2.37 C ATOM 1350 OD1 ASP B 6 -3.459 -0.585 3.346 1.00 2.53 O ATOM 1351 OD2 ASP B 6 -4.444 1.082 2.327 1.00 2.43 O ATOM 0 H ASP B 6 -2.577 0.913 0.060 1.00 1.74 H new ATOM 0 HA ASP B 6 -2.063 -1.717 1.134 1.00 1.77 H new ATOM 0 HB2 ASP B 6 -4.682 -0.383 0.343 1.00 2.16 H new ATOM 0 HB3 ASP B 6 -4.524 -1.854 1.281 1.00 2.16 H new ATOM 1356 N LEU B 7 -2.128 -2.991 -1.001 1.00 1.42 N ATOM 1357 CA LEU B 7 -2.258 -3.824 -2.178 1.00 1.32 C ATOM 1358 C LEU B 7 -2.280 -5.296 -1.794 1.00 1.37 C ATOM 1359 O LEU B 7 -1.966 -6.170 -2.603 1.00 1.42 O ATOM 1360 CB LEU B 7 -1.115 -3.556 -3.153 1.00 1.13 C ATOM 1361 CG LEU B 7 -1.525 -2.902 -4.472 1.00 1.41 C ATOM 1362 CD1 LEU B 7 -1.663 -1.396 -4.311 1.00 1.77 C ATOM 1363 CD2 LEU B 7 -0.513 -3.228 -5.554 1.00 1.70 C ATOM 0 H LEU B 7 -1.416 -3.297 -0.338 1.00 1.42 H new ATOM 0 HA LEU B 7 -3.201 -3.576 -2.666 1.00 1.32 H new ATOM 0 HB2 LEU B 7 -0.382 -2.917 -2.661 1.00 1.13 H new ATOM 0 HB3 LEU B 7 -0.618 -4.501 -3.373 1.00 1.13 H new ATOM 0 HG LEU B 7 -2.496 -3.301 -4.766 1.00 1.41 H new ATOM 0 HD11 LEU B 7 -1.955 -0.954 -5.263 1.00 1.77 H new ATOM 0 HD12 LEU B 7 -2.423 -1.178 -3.561 1.00 1.77 H new ATOM 0 HD13 LEU B 7 -0.709 -0.975 -3.993 1.00 1.77 H new ATOM 0 HD21 LEU B 7 -0.816 -2.757 -6.489 1.00 1.70 H new ATOM 0 HD22 LEU B 7 0.468 -2.854 -5.260 1.00 1.70 H new ATOM 0 HD23 LEU B 7 -0.463 -4.308 -5.692 1.00 1.70 H new ATOM 1375 N THR B 8 -2.661 -5.564 -0.552 1.00 1.52 N ATOM 1376 CA THR B 8 -2.738 -6.916 -0.037 1.00 1.66 C ATOM 1377 C THR B 8 -3.994 -7.629 -0.546 1.00 1.76 C ATOM 1378 O THR B 8 -4.799 -8.135 0.233 1.00 2.31 O ATOM 1379 CB THR B 8 -2.737 -6.883 1.503 1.00 2.06 C ATOM 1380 OG1 THR B 8 -3.835 -6.095 1.994 1.00 3.00 O ATOM 1381 CG2 THR B 8 -1.433 -6.298 2.020 1.00 2.55 C ATOM 0 H THR B 8 -2.925 -4.847 0.124 1.00 1.52 H new ATOM 0 HA THR B 8 -1.869 -7.471 -0.391 1.00 1.66 H new ATOM 0 HB THR B 8 -2.842 -7.907 1.861 1.00 2.06 H new ATOM 0 HG1 THR B 8 -3.819 -6.087 2.974 1.00 3.00 H new ATOM 0 HG21 THR B 8 -1.448 -6.282 3.110 1.00 2.55 H new ATOM 0 HG22 THR B 8 -0.599 -6.910 1.678 1.00 2.55 H new ATOM 0 HG23 THR B 8 -1.316 -5.282 1.644 1.00 2.55 H new ATOM 1389 N ILE B 9 -4.148 -7.667 -1.861 1.00 1.81 N ATOM 1390 CA ILE B 9 -5.303 -8.300 -2.487 1.00 2.17 C ATOM 1391 C ILE B 9 -4.867 -9.268 -3.581 1.00 2.44 C ATOM 1392 O ILE B 9 -3.674 -9.528 -3.754 1.00 3.08 O ATOM 1393 CB ILE B 9 -6.264 -7.253 -3.089 1.00 2.73 C ATOM 1394 CG1 ILE B 9 -5.474 -6.087 -3.697 1.00 3.02 C ATOM 1395 CG2 ILE B 9 -7.239 -6.759 -2.027 1.00 3.38 C ATOM 1396 CD1 ILE B 9 -6.335 -5.061 -4.404 1.00 3.74 C ATOM 0 H ILE B 9 -3.483 -7.264 -2.521 1.00 1.81 H new ATOM 0 HA ILE B 9 -5.828 -8.850 -1.706 1.00 2.17 H new ATOM 0 HB ILE B 9 -6.839 -7.722 -3.887 1.00 2.73 H new ATOM 0 HG12 ILE B 9 -4.912 -5.591 -2.906 1.00 3.02 H new ATOM 0 HG13 ILE B 9 -4.746 -6.485 -4.404 1.00 3.02 H new ATOM 0 HG21 ILE B 9 -7.911 -6.021 -2.465 1.00 3.38 H new ATOM 0 HG22 ILE B 9 -7.820 -7.599 -1.648 1.00 3.38 H new ATOM 0 HG23 ILE B 9 -6.684 -6.303 -1.207 1.00 3.38 H new ATOM 0 HD11 ILE B 9 -5.702 -4.270 -4.806 1.00 3.74 H new ATOM 0 HD12 ILE B 9 -6.878 -5.541 -5.219 1.00 3.74 H new ATOM 0 HD13 ILE B 9 -7.046 -4.633 -3.697 1.00 3.74 H new ATOM 1408 N GLU B 10 -5.839 -9.794 -4.315 1.00 2.62 N ATOM 1409 CA GLU B 10 -5.569 -10.738 -5.390 1.00 3.41 C ATOM 1410 C GLU B 10 -5.602 -10.040 -6.745 1.00 3.70 C ATOM 1411 O GLU B 10 -4.652 -10.119 -7.527 1.00 4.27 O ATOM 1412 CB GLU B 10 -6.608 -11.857 -5.369 1.00 4.14 C ATOM 1413 CG GLU B 10 -6.468 -12.802 -4.189 1.00 4.97 C ATOM 1414 CD GLU B 10 -5.248 -13.686 -4.297 1.00 5.74 C ATOM 1415 OE1 GLU B 10 -5.069 -14.322 -5.353 1.00 6.22 O ATOM 1416 OE2 GLU B 10 -4.460 -13.742 -3.328 1.00 6.12 O ATOM 0 H GLU B 10 -6.828 -9.581 -4.183 1.00 2.62 H new ATOM 0 HA GLU B 10 -4.574 -11.157 -5.237 1.00 3.41 H new ATOM 0 HB2 GLU B 10 -7.604 -11.415 -5.352 1.00 4.14 H new ATOM 0 HB3 GLU B 10 -6.529 -12.430 -6.293 1.00 4.14 H new ATOM 0 HG2 GLU B 10 -6.412 -12.222 -3.268 1.00 4.97 H new ATOM 0 HG3 GLU B 10 -7.359 -13.425 -4.119 1.00 4.97 H new ATOM 1423 N SER B 11 -6.699 -9.348 -7.003 1.00 3.75 N ATOM 1424 CA SER B 11 -6.887 -8.646 -8.260 1.00 4.38 C ATOM 1425 C SER B 11 -7.001 -7.145 -8.029 1.00 4.06 C ATOM 1426 O SER B 11 -7.223 -6.705 -6.904 1.00 3.95 O ATOM 1427 CB SER B 11 -8.147 -9.176 -8.952 1.00 5.27 C ATOM 1428 OG SER B 11 -9.158 -9.511 -8.005 1.00 5.71 O ATOM 0 H SER B 11 -7.479 -9.258 -6.352 1.00 3.75 H new ATOM 0 HA SER B 11 -6.021 -8.822 -8.898 1.00 4.38 H new ATOM 0 HB2 SER B 11 -8.528 -8.424 -9.643 1.00 5.27 H new ATOM 0 HB3 SER B 11 -7.896 -10.055 -9.545 1.00 5.27 H new ATOM 0 HG SER B 11 -9.950 -9.845 -8.476 1.00 5.71 H new ATOM 1434 N SER B 12 -6.821 -6.362 -9.090 1.00 4.44 N ATOM 1435 CA SER B 12 -6.924 -4.913 -8.994 1.00 4.71 C ATOM 1436 C SER B 12 -8.335 -4.522 -8.585 1.00 4.51 C ATOM 1437 O SER B 12 -8.537 -3.756 -7.645 1.00 4.87 O ATOM 1438 CB SER B 12 -6.573 -4.262 -10.333 1.00 5.75 C ATOM 1439 OG SER B 12 -5.313 -4.708 -10.799 1.00 6.23 O ATOM 0 H SER B 12 -6.603 -6.709 -10.024 1.00 4.44 H new ATOM 0 HA SER B 12 -6.219 -4.562 -8.240 1.00 4.71 H new ATOM 0 HB2 SER B 12 -7.341 -4.499 -11.069 1.00 5.75 H new ATOM 0 HB3 SER B 12 -6.561 -3.178 -10.222 1.00 5.75 H new ATOM 0 HG SER B 12 -5.111 -4.279 -11.657 1.00 6.23 H new ATOM 1445 N SER B 13 -9.305 -5.081 -9.286 1.00 4.36 N ATOM 1446 CA SER B 13 -10.702 -4.817 -9.008 1.00 4.58 C ATOM 1447 C SER B 13 -11.215 -5.808 -7.965 1.00 4.15 C ATOM 1448 O SER B 13 -12.151 -6.569 -8.216 1.00 4.69 O ATOM 1449 CB SER B 13 -11.505 -4.922 -10.302 1.00 5.38 C ATOM 1450 OG SER B 13 -10.717 -4.543 -11.420 1.00 5.90 O ATOM 0 H SER B 13 -9.146 -5.727 -10.059 1.00 4.36 H new ATOM 0 HA SER B 13 -10.817 -3.809 -8.609 1.00 4.58 H new ATOM 0 HB2 SER B 13 -11.860 -5.944 -10.432 1.00 5.38 H new ATOM 0 HB3 SER B 13 -12.386 -4.284 -10.240 1.00 5.38 H new ATOM 0 HG SER B 13 -11.251 -4.620 -12.238 1.00 5.90 H new ATOM 1456 N ASP B 14 -10.576 -5.804 -6.804 1.00 3.66 N ATOM 1457 CA ASP B 14 -10.942 -6.710 -5.722 1.00 3.77 C ATOM 1458 C ASP B 14 -12.008 -6.097 -4.825 1.00 3.52 C ATOM 1459 O ASP B 14 -12.193 -4.875 -4.795 1.00 3.73 O ATOM 1460 CB ASP B 14 -9.711 -7.065 -4.887 1.00 4.22 C ATOM 1461 CG ASP B 14 -9.617 -8.550 -4.596 1.00 5.09 C ATOM 1462 OD1 ASP B 14 -10.390 -9.043 -3.747 1.00 5.62 O ATOM 1463 OD2 ASP B 14 -8.766 -9.229 -5.211 1.00 5.48 O ATOM 0 H ASP B 14 -9.798 -5.181 -6.586 1.00 3.66 H new ATOM 0 HA ASP B 14 -11.349 -7.616 -6.172 1.00 3.77 H new ATOM 0 HB2 ASP B 14 -8.813 -6.744 -5.414 1.00 4.22 H new ATOM 0 HB3 ASP B 14 -9.743 -6.515 -3.947 1.00 4.22 H new TER 1468 ASP B 14