USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 599 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 75 TYR OH : rot 49:sc= 1.23 USER MOD Set 1.2: A 79 HIS : no HD1:sc= 0 X(o=1.2,f=1.2) USER MOD Set 2.1: A 33 THR OG1 : rot 180:sc= 0.112 USER MOD Set 2.2: A 43 MET CE :methyl -146:sc= -4.77! (180deg=-5.61!) USER MOD Single : A 3 THR OG1 : rot 36:sc= 0.823 USER MOD Single : A 4 GLN : amide:sc= -1.79! C(o=-1.8!,f=-1.6!) USER MOD Single : A 16 ASN : amide:sc= 0.263 X(o=0.26,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 2.45 (180deg=2.45) USER MOD Single : A 31 SER OG : rot 171:sc= -0.508 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot -70:sc= -2.58! USER MOD Single : A 57 LYS NZ :NH3+ -146:sc= 1.31 (180deg=0.915) USER MOD Single : A 64 LYS NZ :NH3+ -158:sc= 1.07 (180deg=0.643) USER MOD Single : A 65 ASN : amide:sc= -0.66 K(o=-0.66,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.437 USER MOD Single : A 73 THR OG1 : rot 84:sc= 1.11 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 1.23 (180deg=1.23) USER MOD Single : A 80 GLN : amide:sc= -3.11! K(o=-3.1!,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 23 N THR A 3 -12.299 -6.805 -0.899 1.00 0.54 N ATOM 24 CA THR A 3 -11.859 -7.829 -0.021 1.00 0.48 C ATOM 25 C THR A 3 -10.472 -7.466 0.506 1.00 0.39 C ATOM 26 O THR A 3 -9.582 -7.228 -0.272 1.00 0.37 O ATOM 27 CB THR A 3 -11.774 -9.095 -0.843 1.00 0.54 C ATOM 28 OG1 THR A 3 -12.666 -8.959 -1.973 1.00 1.05 O ATOM 29 CG2 THR A 3 -12.241 -10.248 -0.011 1.00 0.94 C ATOM 0 HA THR A 3 -12.535 -7.955 0.824 1.00 0.48 H new ATOM 0 HB THR A 3 -10.749 -9.263 -1.174 1.00 0.54 H new ATOM 0 HG1 THR A 3 -12.660 -8.030 -2.285 1.00 1.05 H new ATOM 0 HG21 THR A 3 -12.183 -11.166 -0.596 1.00 0.94 H new ATOM 0 HG22 THR A 3 -11.608 -10.340 0.872 1.00 0.94 H new ATOM 0 HG23 THR A 3 -13.272 -10.079 0.298 1.00 0.94 H new ATOM 37 N GLN A 4 -10.320 -7.389 1.819 1.00 0.39 N ATOM 38 CA GLN A 4 -9.066 -6.964 2.467 1.00 0.34 C ATOM 39 C GLN A 4 -7.855 -7.763 1.966 1.00 0.27 C ATOM 40 O GLN A 4 -6.762 -7.232 1.807 1.00 0.25 O ATOM 41 CB GLN A 4 -9.172 -7.112 3.969 1.00 0.47 C ATOM 42 CG GLN A 4 -10.227 -6.243 4.586 1.00 0.63 C ATOM 43 CD GLN A 4 -10.324 -6.437 6.079 1.00 0.81 C ATOM 44 OE1 GLN A 4 -11.096 -7.266 6.558 1.00 1.25 O ATOM 45 NE2 GLN A 4 -9.543 -5.704 6.824 1.00 1.20 N ATOM 0 H GLN A 4 -11.063 -7.619 2.479 1.00 0.39 H new ATOM 0 HA GLN A 4 -8.914 -5.917 2.205 1.00 0.34 H new ATOM 0 HB2 GLN A 4 -9.386 -8.154 4.209 1.00 0.47 H new ATOM 0 HB3 GLN A 4 -8.208 -6.873 4.418 1.00 0.47 H new ATOM 0 HG2 GLN A 4 -10.006 -5.198 4.371 1.00 0.63 H new ATOM 0 HG3 GLN A 4 -11.191 -6.465 4.129 1.00 0.63 H new ATOM 0 HE21 GLN A 4 -8.915 -5.026 6.392 1.00 1.20 H new ATOM 0 HE22 GLN A 4 -9.560 -5.809 7.838 1.00 1.20 H new ATOM 54 N GLU A 5 -8.089 -9.020 1.663 1.00 0.33 N ATOM 55 CA GLU A 5 -7.046 -9.922 1.166 1.00 0.37 C ATOM 56 C GLU A 5 -6.674 -9.538 -0.248 1.00 0.30 C ATOM 57 O GLU A 5 -5.529 -9.646 -0.653 1.00 0.32 O ATOM 58 CB GLU A 5 -7.544 -11.364 1.193 1.00 0.56 C ATOM 59 CG GLU A 5 -7.916 -11.866 2.574 1.00 0.85 C ATOM 60 CD GLU A 5 -6.745 -11.885 3.518 1.00 1.42 C ATOM 61 OE1 GLU A 5 -5.959 -12.850 3.502 1.00 1.67 O ATOM 62 OE2 GLU A 5 -6.584 -10.930 4.298 1.00 2.30 O ATOM 0 H GLU A 5 -9.006 -9.457 1.751 1.00 0.33 H new ATOM 0 HA GLU A 5 -6.169 -9.838 1.807 1.00 0.37 H new ATOM 0 HB2 GLU A 5 -8.414 -11.449 0.541 1.00 0.56 H new ATOM 0 HB3 GLU A 5 -6.771 -12.012 0.779 1.00 0.56 H new ATOM 0 HG2 GLU A 5 -8.701 -11.233 2.987 1.00 0.85 H new ATOM 0 HG3 GLU A 5 -8.328 -12.872 2.492 1.00 0.85 H new ATOM 69 N GLU A 6 -7.651 -9.041 -0.958 1.00 0.31 N ATOM 70 CA GLU A 6 -7.503 -8.610 -2.322 1.00 0.34 C ATOM 71 C GLU A 6 -6.847 -7.238 -2.339 1.00 0.25 C ATOM 72 O GLU A 6 -6.106 -6.902 -3.247 1.00 0.27 O ATOM 73 CB GLU A 6 -8.878 -8.593 -2.990 1.00 0.47 C ATOM 74 CG GLU A 6 -8.900 -8.168 -4.435 1.00 0.57 C ATOM 75 CD GLU A 6 -10.270 -8.320 -5.023 1.00 1.19 C ATOM 76 OE1 GLU A 6 -10.628 -9.418 -5.479 1.00 1.75 O ATOM 77 OE2 GLU A 6 -11.026 -7.315 -5.048 1.00 1.92 O ATOM 0 H GLU A 6 -8.596 -8.922 -0.594 1.00 0.31 H new ATOM 0 HA GLU A 6 -6.865 -9.295 -2.881 1.00 0.34 H new ATOM 0 HB2 GLU A 6 -9.308 -9.592 -2.918 1.00 0.47 H new ATOM 0 HB3 GLU A 6 -9.527 -7.925 -2.424 1.00 0.47 H new ATOM 0 HG2 GLU A 6 -8.580 -7.129 -4.516 1.00 0.57 H new ATOM 0 HG3 GLU A 6 -8.189 -8.767 -5.004 1.00 0.57 H new ATOM 84 N ILE A 7 -7.102 -6.471 -1.300 1.00 0.21 N ATOM 85 CA ILE A 7 -6.492 -5.185 -1.133 1.00 0.19 C ATOM 86 C ILE A 7 -4.997 -5.395 -0.882 1.00 0.18 C ATOM 87 O ILE A 7 -4.163 -4.865 -1.600 1.00 0.21 O ATOM 88 CB ILE A 7 -7.113 -4.432 0.051 1.00 0.20 C ATOM 89 CG1 ILE A 7 -8.639 -4.342 -0.110 1.00 0.25 C ATOM 90 CG2 ILE A 7 -6.506 -3.050 0.151 1.00 0.26 C ATOM 91 CD1 ILE A 7 -9.349 -3.558 0.980 1.00 0.29 C ATOM 0 H ILE A 7 -7.742 -6.730 -0.549 1.00 0.21 H new ATOM 0 HA ILE A 7 -6.653 -4.589 -2.031 1.00 0.19 H new ATOM 0 HB ILE A 7 -6.901 -4.978 0.970 1.00 0.20 H new ATOM 0 HG12 ILE A 7 -8.862 -3.882 -1.073 1.00 0.25 H new ATOM 0 HG13 ILE A 7 -9.048 -5.352 -0.137 1.00 0.25 H new ATOM 0 HG21 ILE A 7 -6.949 -2.518 0.993 1.00 0.26 H new ATOM 0 HG22 ILE A 7 -5.430 -3.135 0.302 1.00 0.26 H new ATOM 0 HG23 ILE A 7 -6.701 -2.500 -0.769 1.00 0.26 H new ATOM 0 HD11 ILE A 7 -10.421 -3.549 0.782 1.00 0.29 H new ATOM 0 HD12 ILE A 7 -9.162 -4.027 1.946 1.00 0.29 H new ATOM 0 HD13 ILE A 7 -8.974 -2.535 0.995 1.00 0.29 H new ATOM 103 N VAL A 8 -4.676 -6.182 0.134 1.00 0.18 N ATOM 104 CA VAL A 8 -3.290 -6.524 0.441 1.00 0.20 C ATOM 105 C VAL A 8 -2.594 -7.196 -0.776 1.00 0.23 C ATOM 106 O VAL A 8 -1.405 -6.971 -1.030 1.00 0.26 O ATOM 107 CB VAL A 8 -3.193 -7.418 1.724 1.00 0.23 C ATOM 108 CG1 VAL A 8 -1.780 -7.914 1.957 1.00 0.32 C ATOM 109 CG2 VAL A 8 -3.658 -6.641 2.942 1.00 0.23 C ATOM 0 H VAL A 8 -5.360 -6.600 0.765 1.00 0.18 H new ATOM 0 HA VAL A 8 -2.759 -5.596 0.651 1.00 0.20 H new ATOM 0 HB VAL A 8 -3.838 -8.282 1.567 1.00 0.23 H new ATOM 0 HG11 VAL A 8 -1.754 -8.530 2.856 1.00 0.32 H new ATOM 0 HG12 VAL A 8 -1.457 -8.507 1.101 1.00 0.32 H new ATOM 0 HG13 VAL A 8 -1.111 -7.062 2.082 1.00 0.32 H new ATOM 0 HG21 VAL A 8 -3.586 -7.274 3.827 1.00 0.23 H new ATOM 0 HG22 VAL A 8 -3.030 -5.760 3.073 1.00 0.23 H new ATOM 0 HG23 VAL A 8 -4.693 -6.330 2.802 1.00 0.23 H new ATOM 119 N ALA A 9 -3.342 -7.985 -1.538 1.00 0.24 N ATOM 120 CA ALA A 9 -2.811 -8.622 -2.733 1.00 0.28 C ATOM 121 C ALA A 9 -2.563 -7.579 -3.814 1.00 0.26 C ATOM 122 O ALA A 9 -1.562 -7.639 -4.541 1.00 0.29 O ATOM 123 CB ALA A 9 -3.754 -9.697 -3.255 1.00 0.32 C ATOM 0 H ALA A 9 -4.321 -8.198 -1.347 1.00 0.24 H new ATOM 0 HA ALA A 9 -1.868 -9.100 -2.467 1.00 0.28 H new ATOM 0 HB1 ALA A 9 -3.327 -10.153 -4.148 1.00 0.32 H new ATOM 0 HB2 ALA A 9 -3.895 -10.460 -2.490 1.00 0.32 H new ATOM 0 HB3 ALA A 9 -4.716 -9.248 -3.501 1.00 0.32 H new ATOM 129 N GLY A 10 -3.473 -6.625 -3.907 1.00 0.24 N ATOM 130 CA GLY A 10 -3.360 -5.549 -4.851 1.00 0.25 C ATOM 131 C GLY A 10 -2.174 -4.706 -4.528 1.00 0.25 C ATOM 132 O GLY A 10 -1.405 -4.356 -5.400 1.00 0.31 O ATOM 0 H GLY A 10 -4.309 -6.583 -3.325 1.00 0.24 H new ATOM 0 HA2 GLY A 10 -3.267 -5.949 -5.861 1.00 0.25 H new ATOM 0 HA3 GLY A 10 -4.264 -4.941 -4.831 1.00 0.25 H new ATOM 136 N LEU A 11 -2.016 -4.406 -3.265 1.00 0.21 N ATOM 137 CA LEU A 11 -0.866 -3.677 -2.785 1.00 0.22 C ATOM 138 C LEU A 11 0.416 -4.430 -3.119 1.00 0.23 C ATOM 139 O LEU A 11 1.367 -3.843 -3.594 1.00 0.26 O ATOM 140 CB LEU A 11 -0.969 -3.442 -1.280 1.00 0.22 C ATOM 141 CG LEU A 11 -2.080 -2.496 -0.817 1.00 0.23 C ATOM 142 CD1 LEU A 11 -2.113 -2.426 0.694 1.00 0.28 C ATOM 143 CD2 LEU A 11 -1.872 -1.106 -1.403 1.00 0.29 C ATOM 0 H LEU A 11 -2.683 -4.660 -2.536 1.00 0.21 H new ATOM 0 HA LEU A 11 -0.840 -2.708 -3.283 1.00 0.22 H new ATOM 0 HB2 LEU A 11 -1.115 -4.406 -0.792 1.00 0.22 H new ATOM 0 HB3 LEU A 11 -0.015 -3.048 -0.929 1.00 0.22 H new ATOM 0 HG LEU A 11 -3.035 -2.884 -1.171 1.00 0.23 H new ATOM 0 HD11 LEU A 11 -2.908 -1.750 1.010 1.00 0.28 H new ATOM 0 HD12 LEU A 11 -2.300 -3.420 1.100 1.00 0.28 H new ATOM 0 HD13 LEU A 11 -1.156 -2.058 1.062 1.00 0.28 H new ATOM 0 HD21 LEU A 11 -2.670 -0.445 -1.064 1.00 0.29 H new ATOM 0 HD22 LEU A 11 -0.911 -0.712 -1.073 1.00 0.29 H new ATOM 0 HD23 LEU A 11 -1.886 -1.164 -2.491 1.00 0.29 H new ATOM 155 N ALA A 12 0.396 -5.739 -2.910 1.00 0.21 N ATOM 156 CA ALA A 12 1.535 -6.607 -3.189 1.00 0.22 C ATOM 157 C ALA A 12 1.964 -6.542 -4.647 1.00 0.23 C ATOM 158 O ALA A 12 3.163 -6.462 -4.944 1.00 0.24 O ATOM 159 CB ALA A 12 1.221 -8.037 -2.804 1.00 0.24 C ATOM 0 H ALA A 12 -0.416 -6.233 -2.540 1.00 0.21 H new ATOM 0 HA ALA A 12 2.367 -6.245 -2.585 1.00 0.22 H new ATOM 0 HB1 ALA A 12 2.082 -8.669 -3.019 1.00 0.24 H new ATOM 0 HB2 ALA A 12 0.993 -8.085 -1.739 1.00 0.24 H new ATOM 0 HB3 ALA A 12 0.362 -8.387 -3.376 1.00 0.24 H new ATOM 165 N GLU A 13 0.995 -6.557 -5.553 1.00 0.24 N ATOM 166 CA GLU A 13 1.316 -6.490 -6.977 1.00 0.28 C ATOM 167 C GLU A 13 1.889 -5.126 -7.360 1.00 0.25 C ATOM 168 O GLU A 13 2.834 -5.035 -8.139 1.00 0.33 O ATOM 169 CB GLU A 13 0.159 -6.962 -7.888 1.00 0.44 C ATOM 170 CG GLU A 13 -1.134 -6.185 -7.766 1.00 0.53 C ATOM 171 CD GLU A 13 -2.233 -6.741 -8.626 1.00 1.02 C ATOM 172 OE1 GLU A 13 -2.190 -6.574 -9.861 1.00 1.23 O ATOM 173 OE2 GLU A 13 -3.147 -7.386 -8.099 1.00 1.46 O ATOM 0 H GLU A 13 -0.000 -6.614 -5.337 1.00 0.24 H new ATOM 0 HA GLU A 13 2.110 -7.215 -7.157 1.00 0.28 H new ATOM 0 HB2 GLU A 13 0.494 -6.913 -8.924 1.00 0.44 H new ATOM 0 HB3 GLU A 13 -0.047 -8.010 -7.669 1.00 0.44 H new ATOM 0 HG2 GLU A 13 -1.457 -6.188 -6.725 1.00 0.53 H new ATOM 0 HG3 GLU A 13 -0.955 -5.146 -8.041 1.00 0.53 H new ATOM 180 N ILE A 14 1.355 -4.094 -6.743 1.00 0.23 N ATOM 181 CA ILE A 14 1.851 -2.727 -6.890 1.00 0.25 C ATOM 182 C ILE A 14 3.303 -2.662 -6.396 1.00 0.22 C ATOM 183 O ILE A 14 4.179 -2.091 -7.047 1.00 0.22 O ATOM 184 CB ILE A 14 0.968 -1.788 -6.042 1.00 0.30 C ATOM 185 CG1 ILE A 14 -0.432 -1.726 -6.635 1.00 0.33 C ATOM 186 CG2 ILE A 14 1.570 -0.394 -5.923 1.00 0.36 C ATOM 187 CD1 ILE A 14 -1.442 -1.124 -5.709 1.00 0.41 C ATOM 0 H ILE A 14 0.554 -4.173 -6.116 1.00 0.23 H new ATOM 0 HA ILE A 14 1.814 -2.421 -7.936 1.00 0.25 H new ATOM 0 HB ILE A 14 0.912 -2.195 -5.032 1.00 0.30 H new ATOM 0 HG12 ILE A 14 -0.403 -1.145 -7.557 1.00 0.33 H new ATOM 0 HG13 ILE A 14 -0.750 -2.733 -6.903 1.00 0.33 H new ATOM 0 HG21 ILE A 14 0.916 0.234 -5.318 1.00 0.36 H new ATOM 0 HG22 ILE A 14 2.550 -0.460 -5.450 1.00 0.36 H new ATOM 0 HG23 ILE A 14 1.676 0.043 -6.916 1.00 0.36 H new ATOM 0 HD11 ILE A 14 -2.418 -1.110 -6.194 1.00 0.41 H new ATOM 0 HD12 ILE A 14 -1.499 -1.718 -4.797 1.00 0.41 H new ATOM 0 HD13 ILE A 14 -1.146 -0.105 -5.461 1.00 0.41 H new ATOM 199 N VAL A 15 3.541 -3.251 -5.242 1.00 0.21 N ATOM 200 CA VAL A 15 4.862 -3.303 -4.654 1.00 0.19 C ATOM 201 C VAL A 15 5.840 -4.038 -5.567 1.00 0.18 C ATOM 202 O VAL A 15 6.933 -3.575 -5.784 1.00 0.22 O ATOM 203 CB VAL A 15 4.835 -3.956 -3.245 1.00 0.22 C ATOM 204 CG1 VAL A 15 6.233 -4.141 -2.678 1.00 0.23 C ATOM 205 CG2 VAL A 15 4.021 -3.113 -2.296 1.00 0.29 C ATOM 0 H VAL A 15 2.820 -3.709 -4.684 1.00 0.21 H new ATOM 0 HA VAL A 15 5.206 -2.275 -4.538 1.00 0.19 H new ATOM 0 HB VAL A 15 4.379 -4.940 -3.354 1.00 0.22 H new ATOM 0 HG11 VAL A 15 6.168 -4.601 -1.692 1.00 0.23 H new ATOM 0 HG12 VAL A 15 6.812 -4.784 -3.341 1.00 0.23 H new ATOM 0 HG13 VAL A 15 6.723 -3.171 -2.595 1.00 0.23 H new ATOM 0 HG21 VAL A 15 4.010 -3.581 -1.312 1.00 0.29 H new ATOM 0 HG22 VAL A 15 4.464 -2.120 -2.220 1.00 0.29 H new ATOM 0 HG23 VAL A 15 3.000 -3.028 -2.669 1.00 0.29 H new ATOM 215 N ASN A 16 5.451 -5.161 -6.102 1.00 0.17 N ATOM 216 CA ASN A 16 6.345 -5.916 -6.990 1.00 0.19 C ATOM 217 C ASN A 16 6.640 -5.130 -8.274 1.00 0.22 C ATOM 218 O ASN A 16 7.735 -5.198 -8.828 1.00 0.27 O ATOM 219 CB ASN A 16 5.757 -7.282 -7.308 1.00 0.23 C ATOM 220 CG ASN A 16 6.735 -8.198 -8.031 1.00 0.31 C ATOM 221 OD1 ASN A 16 6.755 -8.278 -9.253 1.00 0.64 O ATOM 222 ND2 ASN A 16 7.555 -8.882 -7.280 1.00 0.29 N ATOM 0 H ASN A 16 4.535 -5.585 -5.953 1.00 0.17 H new ATOM 0 HA ASN A 16 7.291 -6.067 -6.470 1.00 0.19 H new ATOM 0 HB2 ASN A 16 5.439 -7.759 -6.381 1.00 0.23 H new ATOM 0 HB3 ASN A 16 4.866 -7.154 -7.923 1.00 0.23 H new ATOM 0 HD21 ASN A 16 8.239 -9.506 -7.708 1.00 0.29 H new ATOM 0 HD22 ASN A 16 7.512 -8.792 -6.265 1.00 0.29 H new ATOM 229 N GLU A 17 5.670 -4.370 -8.701 1.00 0.23 N ATOM 230 CA GLU A 17 5.775 -3.504 -9.859 1.00 0.29 C ATOM 231 C GLU A 17 6.708 -2.300 -9.586 1.00 0.30 C ATOM 232 O GLU A 17 7.678 -2.075 -10.312 1.00 0.44 O ATOM 233 CB GLU A 17 4.350 -3.039 -10.227 1.00 0.38 C ATOM 234 CG GLU A 17 4.229 -1.977 -11.310 1.00 0.63 C ATOM 235 CD GLU A 17 4.832 -2.370 -12.628 1.00 1.21 C ATOM 236 OE1 GLU A 17 4.465 -3.429 -13.182 1.00 1.48 O ATOM 237 OE2 GLU A 17 5.675 -1.617 -13.151 1.00 2.00 O ATOM 0 H GLU A 17 4.758 -4.329 -8.246 1.00 0.23 H new ATOM 0 HA GLU A 17 6.219 -4.049 -10.692 1.00 0.29 H new ATOM 0 HB2 GLU A 17 3.780 -3.912 -10.543 1.00 0.38 H new ATOM 0 HB3 GLU A 17 3.874 -2.658 -9.324 1.00 0.38 H new ATOM 0 HG2 GLU A 17 3.174 -1.746 -11.460 1.00 0.63 H new ATOM 0 HG3 GLU A 17 4.709 -1.063 -10.962 1.00 0.63 H new ATOM 244 N ILE A 18 6.429 -1.562 -8.534 1.00 0.23 N ATOM 245 CA ILE A 18 7.140 -0.318 -8.249 1.00 0.25 C ATOM 246 C ILE A 18 8.377 -0.530 -7.343 1.00 0.25 C ATOM 247 O ILE A 18 9.477 -0.080 -7.669 1.00 0.28 O ATOM 248 CB ILE A 18 6.166 0.678 -7.582 1.00 0.25 C ATOM 249 CG1 ILE A 18 4.948 0.875 -8.478 1.00 0.27 C ATOM 250 CG2 ILE A 18 6.858 2.009 -7.380 1.00 0.28 C ATOM 251 CD1 ILE A 18 3.820 1.632 -7.844 1.00 0.28 C ATOM 0 H ILE A 18 5.709 -1.798 -7.851 1.00 0.23 H new ATOM 0 HA ILE A 18 7.507 0.078 -9.196 1.00 0.25 H new ATOM 0 HB ILE A 18 5.851 0.282 -6.617 1.00 0.25 H new ATOM 0 HG12 ILE A 18 5.259 1.401 -9.380 1.00 0.27 H new ATOM 0 HG13 ILE A 18 4.581 -0.103 -8.790 1.00 0.27 H new ATOM 0 HG21 ILE A 18 6.169 2.710 -6.909 1.00 0.28 H new ATOM 0 HG22 ILE A 18 7.730 1.872 -6.740 1.00 0.28 H new ATOM 0 HG23 ILE A 18 7.175 2.405 -8.345 1.00 0.28 H new ATOM 0 HD11 ILE A 18 2.998 1.723 -8.554 1.00 0.28 H new ATOM 0 HD12 ILE A 18 3.476 1.098 -6.958 1.00 0.28 H new ATOM 0 HD13 ILE A 18 4.164 2.626 -7.558 1.00 0.28 H new ATOM 263 N ALA A 19 8.187 -1.177 -6.208 1.00 0.23 N ATOM 264 CA ALA A 19 9.278 -1.425 -5.260 1.00 0.26 C ATOM 265 C ALA A 19 10.194 -2.503 -5.810 1.00 0.26 C ATOM 266 O ALA A 19 11.412 -2.386 -5.773 1.00 0.34 O ATOM 267 CB ALA A 19 8.711 -1.880 -3.926 1.00 0.28 C ATOM 0 H ALA A 19 7.284 -1.546 -5.911 1.00 0.23 H new ATOM 0 HA ALA A 19 9.841 -0.503 -5.117 1.00 0.26 H new ATOM 0 HB1 ALA A 19 9.527 -2.062 -3.227 1.00 0.28 H new ATOM 0 HB2 ALA A 19 8.056 -1.106 -3.526 1.00 0.28 H new ATOM 0 HB3 ALA A 19 8.142 -2.799 -4.067 1.00 0.28 H new ATOM 273 N GLY A 20 9.580 -3.536 -6.354 1.00 0.23 N ATOM 274 CA GLY A 20 10.306 -4.659 -6.896 1.00 0.26 C ATOM 275 C GLY A 20 10.516 -5.720 -5.845 1.00 0.29 C ATOM 276 O GLY A 20 11.568 -6.345 -5.788 1.00 0.46 O ATOM 0 H GLY A 20 8.566 -3.617 -6.431 1.00 0.23 H new ATOM 0 HA2 GLY A 20 9.758 -5.080 -7.739 1.00 0.26 H new ATOM 0 HA3 GLY A 20 11.270 -4.324 -7.278 1.00 0.26 H new ATOM 280 N ILE A 21 9.518 -5.909 -5.005 1.00 0.27 N ATOM 281 CA ILE A 21 9.589 -6.860 -3.900 1.00 0.30 C ATOM 282 C ILE A 21 8.532 -7.954 -4.113 1.00 0.28 C ATOM 283 O ILE A 21 7.442 -7.648 -4.589 1.00 0.28 O ATOM 284 CB ILE A 21 9.322 -6.133 -2.531 1.00 0.32 C ATOM 285 CG1 ILE A 21 10.291 -4.944 -2.323 1.00 0.37 C ATOM 286 CG2 ILE A 21 9.385 -7.094 -1.341 1.00 0.36 C ATOM 287 CD1 ILE A 21 11.765 -5.313 -2.333 1.00 0.42 C ATOM 0 H ILE A 21 8.631 -5.409 -5.065 1.00 0.27 H new ATOM 0 HA ILE A 21 10.585 -7.301 -3.872 1.00 0.30 H new ATOM 0 HB ILE A 21 8.306 -5.742 -2.581 1.00 0.32 H new ATOM 0 HG12 ILE A 21 10.111 -4.206 -3.104 1.00 0.37 H new ATOM 0 HG13 ILE A 21 10.057 -4.465 -1.372 1.00 0.37 H new ATOM 0 HG21 ILE A 21 9.194 -6.545 -0.419 1.00 0.36 H new ATOM 0 HG22 ILE A 21 8.632 -7.873 -1.462 1.00 0.36 H new ATOM 0 HG23 ILE A 21 10.374 -7.550 -1.293 1.00 0.36 H new ATOM 0 HD11 ILE A 21 12.366 -4.416 -2.180 1.00 0.42 H new ATOM 0 HD12 ILE A 21 11.967 -6.026 -1.533 1.00 0.42 H new ATOM 0 HD13 ILE A 21 12.021 -5.762 -3.293 1.00 0.42 H new ATOM 299 N PRO A 22 8.890 -9.246 -3.860 1.00 0.31 N ATOM 300 CA PRO A 22 7.990 -10.404 -3.907 1.00 0.34 C ATOM 301 C PRO A 22 6.563 -10.117 -3.491 1.00 0.30 C ATOM 302 O PRO A 22 6.303 -9.629 -2.389 1.00 0.28 O ATOM 303 CB PRO A 22 8.638 -11.386 -2.913 1.00 0.39 C ATOM 304 CG PRO A 22 9.958 -10.772 -2.538 1.00 0.41 C ATOM 305 CD PRO A 22 10.231 -9.709 -3.555 1.00 0.36 C ATOM 0 HA PRO A 22 7.892 -10.770 -4.929 1.00 0.34 H new ATOM 0 HB2 PRO A 22 8.008 -11.527 -2.035 1.00 0.39 H new ATOM 0 HB3 PRO A 22 8.777 -12.367 -3.366 1.00 0.39 H new ATOM 0 HG2 PRO A 22 9.919 -10.349 -1.534 1.00 0.41 H new ATOM 0 HG3 PRO A 22 10.749 -11.522 -2.537 1.00 0.41 H new ATOM 0 HD2 PRO A 22 10.859 -8.912 -3.156 1.00 0.36 H new ATOM 0 HD3 PRO A 22 10.738 -10.104 -4.435 1.00 0.36 H new ATOM 313 N VAL A 23 5.637 -10.527 -4.353 1.00 0.31 N ATOM 314 CA VAL A 23 4.180 -10.339 -4.167 1.00 0.29 C ATOM 315 C VAL A 23 3.699 -11.193 -2.977 1.00 0.29 C ATOM 316 O VAL A 23 2.564 -11.096 -2.503 1.00 0.42 O ATOM 317 CB VAL A 23 3.379 -10.766 -5.457 1.00 0.36 C ATOM 318 CG1 VAL A 23 1.903 -10.402 -5.381 1.00 0.69 C ATOM 319 CG2 VAL A 23 3.995 -10.192 -6.714 1.00 0.41 C ATOM 0 H VAL A 23 5.871 -11.010 -5.221 1.00 0.31 H new ATOM 0 HA VAL A 23 3.998 -9.281 -3.976 1.00 0.29 H new ATOM 0 HB VAL A 23 3.446 -11.853 -5.502 1.00 0.36 H new ATOM 0 HG11 VAL A 23 1.402 -10.720 -6.296 1.00 0.69 H new ATOM 0 HG12 VAL A 23 1.448 -10.902 -4.526 1.00 0.69 H new ATOM 0 HG13 VAL A 23 1.800 -9.323 -5.267 1.00 0.69 H new ATOM 0 HG21 VAL A 23 3.415 -10.509 -7.581 1.00 0.41 H new ATOM 0 HG22 VAL A 23 3.995 -9.104 -6.655 1.00 0.41 H new ATOM 0 HG23 VAL A 23 5.020 -10.550 -6.813 1.00 0.41 H new ATOM 329 N GLU A 24 4.600 -11.973 -2.464 1.00 0.31 N ATOM 330 CA GLU A 24 4.299 -12.859 -1.413 1.00 0.36 C ATOM 331 C GLU A 24 4.951 -12.435 -0.105 1.00 0.35 C ATOM 332 O GLU A 24 4.651 -12.982 0.947 1.00 0.48 O ATOM 333 CB GLU A 24 4.646 -14.290 -1.785 1.00 0.55 C ATOM 334 CG GLU A 24 6.113 -14.513 -2.096 1.00 1.41 C ATOM 335 CD GLU A 24 6.371 -15.908 -2.574 1.00 1.82 C ATOM 336 OE1 GLU A 24 6.451 -16.827 -1.745 1.00 2.34 O ATOM 337 OE2 GLU A 24 6.480 -16.119 -3.794 1.00 2.01 O ATOM 0 H GLU A 24 5.571 -12.003 -2.775 1.00 0.31 H new ATOM 0 HA GLU A 24 3.222 -12.817 -1.249 1.00 0.36 H new ATOM 0 HB2 GLU A 24 4.356 -14.947 -0.965 1.00 0.55 H new ATOM 0 HB3 GLU A 24 4.054 -14.582 -2.652 1.00 0.55 H new ATOM 0 HG2 GLU A 24 6.436 -13.802 -2.856 1.00 1.41 H new ATOM 0 HG3 GLU A 24 6.708 -14.318 -1.204 1.00 1.41 H new ATOM 344 N ASP A 25 5.835 -11.450 -0.166 1.00 0.30 N ATOM 345 CA ASP A 25 6.490 -10.976 1.056 1.00 0.32 C ATOM 346 C ASP A 25 5.684 -9.835 1.592 1.00 0.29 C ATOM 347 O ASP A 25 5.747 -9.498 2.754 1.00 0.32 O ATOM 348 CB ASP A 25 7.927 -10.505 0.800 1.00 0.38 C ATOM 349 CG ASP A 25 8.720 -10.341 2.097 1.00 0.46 C ATOM 350 OD1 ASP A 25 9.302 -11.348 2.557 1.00 0.69 O ATOM 351 OD2 ASP A 25 8.802 -9.223 2.657 1.00 0.53 O ATOM 0 H ASP A 25 6.114 -10.970 -1.022 1.00 0.30 H new ATOM 0 HA ASP A 25 6.544 -11.801 1.766 1.00 0.32 H new ATOM 0 HB2 ASP A 25 8.433 -11.223 0.155 1.00 0.38 H new ATOM 0 HB3 ASP A 25 7.907 -9.555 0.266 1.00 0.38 H new ATOM 356 N VAL A 26 4.859 -9.300 0.722 1.00 0.27 N ATOM 357 CA VAL A 26 4.002 -8.172 0.998 1.00 0.27 C ATOM 358 C VAL A 26 2.728 -8.672 1.695 1.00 0.29 C ATOM 359 O VAL A 26 1.618 -8.631 1.164 1.00 0.37 O ATOM 360 CB VAL A 26 3.652 -7.419 -0.316 1.00 0.29 C ATOM 361 CG1 VAL A 26 2.892 -6.138 -0.041 1.00 0.40 C ATOM 362 CG2 VAL A 26 4.907 -7.111 -1.109 1.00 0.38 C ATOM 0 H VAL A 26 4.763 -9.651 -0.231 1.00 0.27 H new ATOM 0 HA VAL A 26 4.520 -7.472 1.653 1.00 0.27 H new ATOM 0 HB VAL A 26 3.010 -8.076 -0.903 1.00 0.29 H new ATOM 0 HG11 VAL A 26 2.665 -5.640 -0.984 1.00 0.40 H new ATOM 0 HG12 VAL A 26 1.963 -6.371 0.479 1.00 0.40 H new ATOM 0 HG13 VAL A 26 3.500 -5.480 0.580 1.00 0.40 H new ATOM 0 HG21 VAL A 26 4.639 -6.584 -2.025 1.00 0.38 H new ATOM 0 HG22 VAL A 26 5.571 -6.486 -0.512 1.00 0.38 H new ATOM 0 HG23 VAL A 26 5.415 -8.042 -1.362 1.00 0.38 H new ATOM 372 N LYS A 27 2.941 -9.249 2.833 1.00 0.33 N ATOM 373 CA LYS A 27 1.917 -9.721 3.699 1.00 0.38 C ATOM 374 C LYS A 27 1.575 -8.615 4.666 1.00 0.43 C ATOM 375 O LYS A 27 2.303 -7.642 4.738 1.00 0.98 O ATOM 376 CB LYS A 27 2.385 -11.005 4.384 1.00 0.57 C ATOM 377 CG LYS A 27 3.855 -11.006 4.763 1.00 0.47 C ATOM 378 CD LYS A 27 4.291 -12.341 5.329 1.00 0.96 C ATOM 379 CE LYS A 27 5.797 -12.380 5.534 1.00 1.16 C ATOM 380 NZ LYS A 27 6.275 -13.701 5.991 1.00 1.67 N ATOM 0 H LYS A 27 3.879 -9.410 3.199 1.00 0.33 H new ATOM 0 HA LYS A 27 1.009 -9.977 3.154 1.00 0.38 H new ATOM 0 HB2 LYS A 27 1.789 -11.162 5.283 1.00 0.57 H new ATOM 0 HB3 LYS A 27 2.191 -11.849 3.722 1.00 0.57 H new ATOM 0 HG2 LYS A 27 4.456 -10.770 3.885 1.00 0.47 H new ATOM 0 HG3 LYS A 27 4.041 -10.222 5.497 1.00 0.47 H new ATOM 0 HD2 LYS A 27 3.786 -12.520 6.278 1.00 0.96 H new ATOM 0 HD3 LYS A 27 3.991 -13.142 4.653 1.00 0.96 H new ATOM 0 HE2 LYS A 27 6.294 -12.122 4.599 1.00 1.16 H new ATOM 0 HE3 LYS A 27 6.080 -11.623 6.265 1.00 1.16 H new ATOM 0 HZ1 LYS A 27 7.307 -13.673 6.115 1.00 1.67 H new ATOM 0 HZ2 LYS A 27 5.824 -13.939 6.897 1.00 1.67 H new ATOM 0 HZ3 LYS A 27 6.031 -14.422 5.283 1.00 1.67 H new ATOM 394 N LEU A 28 0.541 -8.791 5.460 1.00 0.37 N ATOM 395 CA LEU A 28 -0.070 -7.702 6.253 1.00 0.37 C ATOM 396 C LEU A 28 0.834 -7.182 7.407 1.00 0.41 C ATOM 397 O LEU A 28 0.540 -6.179 8.061 1.00 0.55 O ATOM 398 CB LEU A 28 -1.448 -8.161 6.716 1.00 0.51 C ATOM 399 CG LEU A 28 -2.458 -7.090 7.087 1.00 0.47 C ATOM 400 CD1 LEU A 28 -3.823 -7.576 6.711 1.00 1.08 C ATOM 401 CD2 LEU A 28 -2.432 -6.772 8.573 1.00 0.99 C ATOM 0 H LEU A 28 0.084 -9.694 5.587 1.00 0.37 H new ATOM 0 HA LEU A 28 -0.183 -6.824 5.617 1.00 0.37 H new ATOM 0 HB2 LEU A 28 -1.882 -8.772 5.925 1.00 0.51 H new ATOM 0 HB3 LEU A 28 -1.313 -8.809 7.582 1.00 0.51 H new ATOM 0 HG LEU A 28 -2.203 -6.176 6.550 1.00 0.47 H new ATOM 0 HD11 LEU A 28 -4.563 -6.819 6.970 1.00 1.08 H new ATOM 0 HD12 LEU A 28 -3.859 -7.766 5.638 1.00 1.08 H new ATOM 0 HD13 LEU A 28 -4.042 -8.498 7.250 1.00 1.08 H new ATOM 0 HD21 LEU A 28 -3.170 -6.001 8.793 1.00 0.99 H new ATOM 0 HD22 LEU A 28 -2.666 -7.672 9.142 1.00 0.99 H new ATOM 0 HD23 LEU A 28 -1.440 -6.415 8.851 1.00 0.99 H new ATOM 413 N ASP A 29 1.952 -7.800 7.538 1.00 0.41 N ATOM 414 CA ASP A 29 2.965 -7.498 8.540 1.00 0.51 C ATOM 415 C ASP A 29 3.873 -6.389 8.041 1.00 0.45 C ATOM 416 O ASP A 29 4.579 -5.737 8.804 1.00 0.63 O ATOM 417 CB ASP A 29 3.792 -8.772 8.706 1.00 0.66 C ATOM 418 CG ASP A 29 5.027 -8.648 9.563 1.00 1.43 C ATOM 419 OD1 ASP A 29 4.913 -8.756 10.808 1.00 1.81 O ATOM 420 OD2 ASP A 29 6.113 -8.384 9.021 1.00 2.11 O ATOM 0 H ASP A 29 2.219 -8.573 6.928 1.00 0.41 H new ATOM 0 HA ASP A 29 2.507 -7.178 9.476 1.00 0.51 H new ATOM 0 HB2 ASP A 29 3.152 -9.544 9.134 1.00 0.66 H new ATOM 0 HB3 ASP A 29 4.093 -9.119 7.717 1.00 0.66 H new ATOM 425 N LYS A 30 3.810 -6.149 6.767 1.00 0.31 N ATOM 426 CA LYS A 30 4.790 -5.309 6.126 1.00 0.30 C ATOM 427 C LYS A 30 4.559 -3.818 6.233 1.00 0.28 C ATOM 428 O LYS A 30 3.511 -3.292 5.860 1.00 0.35 O ATOM 429 CB LYS A 30 5.012 -5.759 4.712 1.00 0.33 C ATOM 430 CG LYS A 30 5.434 -7.215 4.648 1.00 0.37 C ATOM 431 CD LYS A 30 6.565 -7.499 5.619 1.00 0.38 C ATOM 432 CE LYS A 30 6.818 -8.984 5.802 1.00 0.48 C ATOM 433 NZ LYS A 30 7.676 -9.234 6.978 1.00 1.02 N ATOM 0 H LYS A 30 3.092 -6.521 6.145 1.00 0.31 H new ATOM 0 HA LYS A 30 5.708 -5.447 6.698 1.00 0.30 H new ATOM 0 HB2 LYS A 30 4.096 -5.620 4.137 1.00 0.33 H new ATOM 0 HB3 LYS A 30 5.777 -5.137 4.248 1.00 0.33 H new ATOM 0 HG2 LYS A 30 4.582 -7.854 4.880 1.00 0.37 H new ATOM 0 HG3 LYS A 30 5.750 -7.461 3.634 1.00 0.37 H new ATOM 0 HD2 LYS A 30 7.476 -7.021 5.260 1.00 0.38 H new ATOM 0 HD3 LYS A 30 6.330 -7.052 6.585 1.00 0.38 H new ATOM 0 HE2 LYS A 30 5.869 -9.506 5.922 1.00 0.48 H new ATOM 0 HE3 LYS A 30 7.293 -9.388 4.908 1.00 0.48 H new ATOM 0 HZ1 LYS A 30 7.834 -10.257 7.081 1.00 1.02 H new ATOM 0 HZ2 LYS A 30 8.589 -8.754 6.850 1.00 1.02 H new ATOM 0 HZ3 LYS A 30 7.209 -8.868 7.832 1.00 1.02 H new ATOM 447 N SER A 31 5.589 -3.155 6.718 1.00 0.26 N ATOM 448 CA SER A 31 5.635 -1.729 6.952 1.00 0.28 C ATOM 449 C SER A 31 6.259 -0.962 5.778 1.00 0.43 C ATOM 450 O SER A 31 6.757 0.156 5.958 1.00 1.05 O ATOM 451 CB SER A 31 6.507 -1.553 8.163 1.00 0.28 C ATOM 452 OG SER A 31 7.623 -2.455 8.063 1.00 1.16 O ATOM 0 H SER A 31 6.460 -3.621 6.972 1.00 0.26 H new ATOM 0 HA SER A 31 4.625 -1.338 7.080 1.00 0.28 H new ATOM 0 HB2 SER A 31 6.858 -0.523 8.229 1.00 0.28 H new ATOM 0 HB3 SER A 31 5.938 -1.755 9.071 1.00 0.28 H new ATOM 0 HG SER A 31 8.270 -2.254 8.771 1.00 1.16 H new ATOM 458 N PHE A 32 6.244 -1.565 4.597 1.00 0.26 N ATOM 459 CA PHE A 32 6.803 -0.950 3.394 1.00 0.25 C ATOM 460 C PHE A 32 8.271 -0.594 3.525 1.00 0.26 C ATOM 461 O PHE A 32 9.124 -1.500 3.583 1.00 0.32 O ATOM 462 CB PHE A 32 5.961 0.234 2.911 1.00 0.32 C ATOM 463 CG PHE A 32 4.691 -0.215 2.279 1.00 0.26 C ATOM 464 CD1 PHE A 32 4.670 -0.683 0.976 1.00 0.33 C ATOM 465 CD2 PHE A 32 3.505 -0.124 2.971 1.00 0.26 C ATOM 466 CE1 PHE A 32 3.482 -1.059 0.385 1.00 0.36 C ATOM 467 CE2 PHE A 32 2.319 -0.500 2.385 1.00 0.28 C ATOM 468 CZ PHE A 32 2.356 -1.130 1.109 1.00 0.32 C ATOM 0 H PHE A 32 5.846 -2.491 4.443 1.00 0.26 H new ATOM 0 HA PHE A 32 6.756 -1.716 2.620 1.00 0.25 H new ATOM 0 HB2 PHE A 32 5.737 0.889 3.753 1.00 0.32 H new ATOM 0 HB3 PHE A 32 6.536 0.821 2.195 1.00 0.32 H new ATOM 0 HD1 PHE A 32 5.592 -0.754 0.418 1.00 0.33 H new ATOM 0 HD2 PHE A 32 3.506 0.247 3.985 1.00 0.26 H new ATOM 0 HE1 PHE A 32 3.459 -1.298 -0.668 1.00 0.36 H new ATOM 0 HE2 PHE A 32 1.378 -0.321 2.883 1.00 0.28 H new ATOM 0 HZ PHE A 32 1.492 -1.656 0.731 1.00 0.32 H new ATOM 478 N THR A 33 8.573 0.685 3.613 1.00 0.27 N ATOM 479 CA THR A 33 9.929 1.176 3.770 1.00 0.31 C ATOM 480 C THR A 33 10.472 0.971 5.183 1.00 0.33 C ATOM 481 O THR A 33 10.892 1.909 5.858 1.00 0.47 O ATOM 482 CB THR A 33 9.975 2.640 3.383 1.00 0.37 C ATOM 483 OG1 THR A 33 8.747 3.265 3.817 1.00 0.47 O ATOM 484 CG2 THR A 33 10.132 2.765 1.888 1.00 0.39 C ATOM 0 H THR A 33 7.873 1.426 3.577 1.00 0.27 H new ATOM 0 HA THR A 33 10.574 0.596 3.110 1.00 0.31 H new ATOM 0 HB THR A 33 10.823 3.133 3.859 1.00 0.37 H new ATOM 0 HG1 THR A 33 8.760 4.215 3.576 1.00 0.47 H new ATOM 0 HG21 THR A 33 10.165 3.819 1.612 1.00 0.39 H new ATOM 0 HG22 THR A 33 11.057 2.280 1.578 1.00 0.39 H new ATOM 0 HG23 THR A 33 9.287 2.287 1.392 1.00 0.39 H new ATOM 492 N ASP A 34 10.449 -0.258 5.602 1.00 0.34 N ATOM 493 CA ASP A 34 10.907 -0.661 6.895 1.00 0.39 C ATOM 494 C ASP A 34 11.173 -2.151 6.890 1.00 0.42 C ATOM 495 O ASP A 34 12.231 -2.608 7.319 1.00 0.57 O ATOM 496 CB ASP A 34 9.884 -0.299 7.979 1.00 0.43 C ATOM 497 CG ASP A 34 10.276 -0.826 9.331 1.00 0.59 C ATOM 498 OD1 ASP A 34 11.084 -0.172 10.015 1.00 0.72 O ATOM 499 OD2 ASP A 34 9.785 -1.909 9.732 1.00 0.73 O ATOM 0 H ASP A 34 10.100 -1.031 5.035 1.00 0.34 H new ATOM 0 HA ASP A 34 11.831 -0.130 7.124 1.00 0.39 H new ATOM 0 HB2 ASP A 34 9.780 0.785 8.030 1.00 0.43 H new ATOM 0 HB3 ASP A 34 8.909 -0.700 7.704 1.00 0.43 H new ATOM 504 N ASP A 35 10.215 -2.914 6.387 1.00 0.36 N ATOM 505 CA ASP A 35 10.367 -4.371 6.349 1.00 0.43 C ATOM 506 C ASP A 35 10.593 -4.871 4.919 1.00 0.44 C ATOM 507 O ASP A 35 11.405 -5.766 4.679 1.00 0.58 O ATOM 508 CB ASP A 35 9.140 -5.052 6.938 1.00 0.48 C ATOM 509 CG ASP A 35 9.448 -6.440 7.419 1.00 0.95 C ATOM 510 OD1 ASP A 35 9.528 -7.352 6.578 1.00 1.34 O ATOM 511 OD2 ASP A 35 9.630 -6.647 8.623 1.00 1.46 O ATOM 0 H ASP A 35 9.337 -2.563 6.004 1.00 0.36 H new ATOM 0 HA ASP A 35 11.243 -4.624 6.947 1.00 0.43 H new ATOM 0 HB2 ASP A 35 8.757 -4.457 7.767 1.00 0.48 H new ATOM 0 HB3 ASP A 35 8.352 -5.095 6.186 1.00 0.48 H new ATOM 516 N LEU A 36 9.852 -4.305 3.972 1.00 0.36 N ATOM 517 CA LEU A 36 10.002 -4.666 2.560 1.00 0.39 C ATOM 518 C LEU A 36 11.250 -4.023 1.994 1.00 0.46 C ATOM 519 O LEU A 36 11.975 -4.633 1.214 1.00 0.58 O ATOM 520 CB LEU A 36 8.785 -4.198 1.746 1.00 0.35 C ATOM 521 CG LEU A 36 7.442 -4.830 2.097 1.00 0.33 C ATOM 522 CD1 LEU A 36 6.327 -4.175 1.300 1.00 0.35 C ATOM 523 CD2 LEU A 36 7.473 -6.319 1.817 1.00 0.34 C ATOM 0 H LEU A 36 9.142 -3.595 4.152 1.00 0.36 H new ATOM 0 HA LEU A 36 10.079 -5.751 2.493 1.00 0.39 H new ATOM 0 HB2 LEU A 36 8.693 -3.118 1.861 1.00 0.35 H new ATOM 0 HB3 LEU A 36 8.986 -4.390 0.692 1.00 0.35 H new ATOM 0 HG LEU A 36 7.253 -4.675 3.159 1.00 0.33 H new ATOM 0 HD11 LEU A 36 5.374 -4.636 1.561 1.00 0.35 H new ATOM 0 HD12 LEU A 36 6.291 -3.111 1.532 1.00 0.35 H new ATOM 0 HD13 LEU A 36 6.515 -4.308 0.235 1.00 0.35 H new ATOM 0 HD21 LEU A 36 6.508 -6.757 2.072 1.00 0.34 H new ATOM 0 HD22 LEU A 36 7.679 -6.486 0.760 1.00 0.34 H new ATOM 0 HD23 LEU A 36 8.254 -6.786 2.417 1.00 0.34 H new ATOM 535 N ASP A 37 11.466 -2.779 2.410 1.00 0.41 N ATOM 536 CA ASP A 37 12.577 -1.931 1.982 1.00 0.52 C ATOM 537 C ASP A 37 12.361 -1.546 0.545 1.00 0.63 C ATOM 538 O ASP A 37 12.685 -2.280 -0.389 1.00 0.85 O ATOM 539 CB ASP A 37 13.960 -2.547 2.212 1.00 0.75 C ATOM 540 CG ASP A 37 15.053 -1.516 2.087 1.00 0.91 C ATOM 541 OD1 ASP A 37 15.544 -1.267 0.981 1.00 1.14 O ATOM 542 OD2 ASP A 37 15.427 -0.919 3.124 1.00 1.02 O ATOM 0 H ASP A 37 10.851 -2.316 3.079 1.00 0.41 H new ATOM 0 HA ASP A 37 12.578 -1.041 2.611 1.00 0.52 H new ATOM 0 HB2 ASP A 37 13.997 -3.000 3.203 1.00 0.75 H new ATOM 0 HB3 ASP A 37 14.128 -3.346 1.490 1.00 0.75 H new ATOM 547 N VAL A 38 11.752 -0.422 0.388 1.00 0.56 N ATOM 548 CA VAL A 38 11.279 0.025 -0.886 1.00 0.80 C ATOM 549 C VAL A 38 12.175 1.159 -1.415 1.00 0.70 C ATOM 550 O VAL A 38 13.202 0.899 -2.049 1.00 0.96 O ATOM 551 CB VAL A 38 9.765 0.470 -0.752 1.00 1.06 C ATOM 552 CG1 VAL A 38 9.179 0.978 -2.054 1.00 0.89 C ATOM 553 CG2 VAL A 38 8.914 -0.681 -0.220 1.00 1.79 C ATOM 0 H VAL A 38 11.563 0.227 1.152 1.00 0.56 H new ATOM 0 HA VAL A 38 11.329 -0.786 -1.612 1.00 0.80 H new ATOM 0 HB VAL A 38 9.751 1.300 -0.046 1.00 1.06 H new ATOM 0 HG11 VAL A 38 8.140 1.267 -1.897 1.00 0.89 H new ATOM 0 HG12 VAL A 38 9.748 1.842 -2.397 1.00 0.89 H new ATOM 0 HG13 VAL A 38 9.227 0.191 -2.806 1.00 0.89 H new ATOM 0 HG21 VAL A 38 7.877 -0.357 -0.134 1.00 1.79 H new ATOM 0 HG22 VAL A 38 8.975 -1.526 -0.906 1.00 1.79 H new ATOM 0 HG23 VAL A 38 9.282 -0.983 0.761 1.00 1.79 H new ATOM 563 N ASP A 39 11.780 2.382 -1.116 1.00 0.50 N ATOM 564 CA ASP A 39 12.417 3.627 -1.532 1.00 0.50 C ATOM 565 C ASP A 39 11.360 4.661 -1.247 1.00 0.53 C ATOM 566 O ASP A 39 10.285 4.304 -0.766 1.00 0.78 O ATOM 567 CB ASP A 39 12.701 3.657 -3.047 1.00 0.56 C ATOM 568 CG ASP A 39 13.691 4.722 -3.468 1.00 0.66 C ATOM 569 OD1 ASP A 39 13.301 5.908 -3.574 1.00 0.69 O ATOM 570 OD2 ASP A 39 14.870 4.393 -3.708 1.00 0.79 O ATOM 0 H ASP A 39 10.955 2.548 -0.540 1.00 0.50 H new ATOM 0 HA ASP A 39 13.370 3.774 -1.024 1.00 0.50 H new ATOM 0 HB2 ASP A 39 13.079 2.682 -3.354 1.00 0.56 H new ATOM 0 HB3 ASP A 39 11.763 3.817 -3.579 1.00 0.56 H new ATOM 575 N SER A 40 11.585 5.869 -1.590 1.00 0.59 N ATOM 576 CA SER A 40 10.627 6.891 -1.344 1.00 0.68 C ATOM 577 C SER A 40 9.998 7.343 -2.618 1.00 0.64 C ATOM 578 O SER A 40 8.830 7.708 -2.653 1.00 0.71 O ATOM 579 CB SER A 40 11.234 8.023 -0.612 1.00 0.90 C ATOM 580 OG SER A 40 12.413 8.538 -1.270 1.00 1.23 O ATOM 0 H SER A 40 12.438 6.186 -2.051 1.00 0.59 H new ATOM 0 HA SER A 40 9.842 6.476 -0.713 1.00 0.68 H new ATOM 0 HB2 SER A 40 10.500 8.822 -0.511 1.00 0.90 H new ATOM 0 HB3 SER A 40 11.496 7.701 0.396 1.00 0.90 H new ATOM 0 HG SER A 40 12.777 9.285 -0.751 1.00 1.23 H new ATOM 585 N LEU A 41 10.752 7.250 -3.680 1.00 0.60 N ATOM 586 CA LEU A 41 10.262 7.617 -4.990 1.00 0.64 C ATOM 587 C LEU A 41 9.287 6.550 -5.399 1.00 0.54 C ATOM 588 O LEU A 41 8.234 6.812 -5.962 1.00 0.60 O ATOM 589 CB LEU A 41 11.422 7.683 -5.978 1.00 0.75 C ATOM 590 CG LEU A 41 12.556 8.634 -5.607 1.00 0.89 C ATOM 591 CD1 LEU A 41 13.686 8.520 -6.606 1.00 1.02 C ATOM 592 CD2 LEU A 41 12.050 10.065 -5.537 1.00 1.02 C ATOM 0 H LEU A 41 11.717 6.921 -3.667 1.00 0.60 H new ATOM 0 HA LEU A 41 9.783 8.596 -4.975 1.00 0.64 H new ATOM 0 HB2 LEU A 41 11.836 6.681 -6.091 1.00 0.75 H new ATOM 0 HB3 LEU A 41 11.029 7.978 -6.951 1.00 0.75 H new ATOM 0 HG LEU A 41 12.934 8.355 -4.623 1.00 0.89 H new ATOM 0 HD11 LEU A 41 14.488 9.204 -6.328 1.00 1.02 H new ATOM 0 HD12 LEU A 41 14.066 7.498 -6.610 1.00 1.02 H new ATOM 0 HD13 LEU A 41 13.320 8.775 -7.600 1.00 1.02 H new ATOM 0 HD21 LEU A 41 12.872 10.729 -5.271 1.00 1.02 H new ATOM 0 HD22 LEU A 41 11.647 10.356 -6.507 1.00 1.02 H new ATOM 0 HD23 LEU A 41 11.267 10.137 -4.782 1.00 1.02 H new ATOM 604 N SER A 42 9.639 5.352 -5.011 1.00 0.43 N ATOM 605 CA SER A 42 8.858 4.193 -5.232 1.00 0.38 C ATOM 606 C SER A 42 7.632 4.248 -4.306 1.00 0.30 C ATOM 607 O SER A 42 6.528 3.922 -4.711 1.00 0.33 O ATOM 608 CB SER A 42 9.738 2.963 -4.949 1.00 0.39 C ATOM 609 OG SER A 42 9.083 1.755 -5.214 1.00 1.02 O ATOM 0 H SER A 42 10.511 5.165 -4.516 1.00 0.43 H new ATOM 0 HA SER A 42 8.502 4.132 -6.260 1.00 0.38 H new ATOM 0 HB2 SER A 42 10.642 3.021 -5.555 1.00 0.39 H new ATOM 0 HB3 SER A 42 10.052 2.979 -3.905 1.00 0.39 H new ATOM 0 HG SER A 42 8.381 1.610 -4.546 1.00 1.02 H new ATOM 615 N MET A 43 7.845 4.746 -3.083 1.00 0.26 N ATOM 616 CA MET A 43 6.794 4.871 -2.074 1.00 0.26 C ATOM 617 C MET A 43 5.644 5.727 -2.577 1.00 0.25 C ATOM 618 O MET A 43 4.479 5.347 -2.481 1.00 0.26 O ATOM 619 CB MET A 43 7.361 5.495 -0.804 1.00 0.35 C ATOM 620 CG MET A 43 6.348 5.635 0.308 1.00 0.48 C ATOM 621 SD MET A 43 5.487 4.084 0.624 1.00 0.55 S ATOM 622 CE MET A 43 6.877 2.994 0.828 1.00 0.52 C ATOM 0 H MET A 43 8.757 5.075 -2.766 1.00 0.26 H new ATOM 0 HA MET A 43 6.418 3.870 -1.862 1.00 0.26 H new ATOM 0 HB2 MET A 43 8.193 4.886 -0.451 1.00 0.35 H new ATOM 0 HB3 MET A 43 7.764 6.479 -1.042 1.00 0.35 H new ATOM 0 HG2 MET A 43 6.850 5.965 1.218 1.00 0.48 H new ATOM 0 HG3 MET A 43 5.624 6.406 0.046 1.00 0.48 H new ATOM 0 HE1 MET A 43 6.625 2.007 0.441 1.00 0.52 H new ATOM 0 HE2 MET A 43 7.733 3.390 0.282 1.00 0.52 H new ATOM 0 HE3 MET A 43 7.126 2.916 1.886 1.00 0.52 H new ATOM 632 N VAL A 44 5.992 6.870 -3.139 1.00 0.29 N ATOM 633 CA VAL A 44 5.039 7.805 -3.670 1.00 0.33 C ATOM 634 C VAL A 44 4.229 7.152 -4.773 1.00 0.26 C ATOM 635 O VAL A 44 3.012 7.311 -4.808 1.00 0.28 O ATOM 636 CB VAL A 44 5.739 9.094 -4.198 1.00 0.47 C ATOM 637 CG1 VAL A 44 4.733 10.053 -4.814 1.00 0.55 C ATOM 638 CG2 VAL A 44 6.484 9.792 -3.069 1.00 0.56 C ATOM 0 H VAL A 44 6.961 7.172 -3.237 1.00 0.29 H new ATOM 0 HA VAL A 44 4.369 8.100 -2.863 1.00 0.33 H new ATOM 0 HB VAL A 44 6.449 8.794 -4.969 1.00 0.47 H new ATOM 0 HG11 VAL A 44 5.251 10.942 -5.173 1.00 0.55 H new ATOM 0 HG12 VAL A 44 4.229 9.565 -5.648 1.00 0.55 H new ATOM 0 HG13 VAL A 44 3.997 10.340 -4.063 1.00 0.55 H new ATOM 0 HG21 VAL A 44 6.968 10.690 -3.453 1.00 0.56 H new ATOM 0 HG22 VAL A 44 5.780 10.067 -2.284 1.00 0.56 H new ATOM 0 HG23 VAL A 44 7.239 9.120 -2.661 1.00 0.56 H new ATOM 648 N GLU A 45 4.892 6.373 -5.630 1.00 0.24 N ATOM 649 CA GLU A 45 4.218 5.711 -6.722 1.00 0.22 C ATOM 650 C GLU A 45 3.268 4.654 -6.180 1.00 0.19 C ATOM 651 O GLU A 45 2.208 4.442 -6.734 1.00 0.21 O ATOM 652 CB GLU A 45 5.219 5.084 -7.689 1.00 0.29 C ATOM 653 CG GLU A 45 6.226 6.055 -8.278 1.00 0.47 C ATOM 654 CD GLU A 45 5.582 7.180 -9.035 1.00 1.18 C ATOM 655 OE1 GLU A 45 5.289 8.225 -8.432 1.00 2.08 O ATOM 656 OE2 GLU A 45 5.372 7.044 -10.258 1.00 1.25 O ATOM 0 H GLU A 45 5.895 6.192 -5.580 1.00 0.24 H new ATOM 0 HA GLU A 45 3.645 6.456 -7.274 1.00 0.22 H new ATOM 0 HB2 GLU A 45 5.759 4.293 -7.169 1.00 0.29 H new ATOM 0 HB3 GLU A 45 4.670 4.613 -8.504 1.00 0.29 H new ATOM 0 HG2 GLU A 45 6.837 6.467 -7.475 1.00 0.47 H new ATOM 0 HG3 GLU A 45 6.898 5.514 -8.944 1.00 0.47 H new ATOM 663 N VAL A 46 3.662 3.997 -5.086 1.00 0.20 N ATOM 664 CA VAL A 46 2.807 3.012 -4.421 1.00 0.22 C ATOM 665 C VAL A 46 1.516 3.689 -3.946 1.00 0.25 C ATOM 666 O VAL A 46 0.435 3.154 -4.152 1.00 0.31 O ATOM 667 CB VAL A 46 3.532 2.305 -3.223 1.00 0.27 C ATOM 668 CG1 VAL A 46 2.605 1.321 -2.520 1.00 0.52 C ATOM 669 CG2 VAL A 46 4.769 1.566 -3.708 1.00 0.49 C ATOM 0 H VAL A 46 4.570 4.130 -4.642 1.00 0.20 H new ATOM 0 HA VAL A 46 2.568 2.235 -5.147 1.00 0.22 H new ATOM 0 HB VAL A 46 3.825 3.081 -2.515 1.00 0.27 H new ATOM 0 HG11 VAL A 46 3.136 0.847 -1.695 1.00 0.52 H new ATOM 0 HG12 VAL A 46 1.735 1.853 -2.134 1.00 0.52 H new ATOM 0 HG13 VAL A 46 2.280 0.558 -3.228 1.00 0.52 H new ATOM 0 HG21 VAL A 46 5.258 1.082 -2.863 1.00 0.49 H new ATOM 0 HG22 VAL A 46 4.479 0.812 -4.440 1.00 0.49 H new ATOM 0 HG23 VAL A 46 5.458 2.273 -4.170 1.00 0.49 H new ATOM 679 N VAL A 47 1.647 4.868 -3.325 1.00 0.25 N ATOM 680 CA VAL A 47 0.480 5.670 -2.895 1.00 0.28 C ATOM 681 C VAL A 47 -0.399 5.935 -4.120 1.00 0.27 C ATOM 682 O VAL A 47 -1.555 5.507 -4.163 1.00 0.30 O ATOM 683 CB VAL A 47 0.922 7.027 -2.287 1.00 0.31 C ATOM 684 CG1 VAL A 47 -0.283 7.810 -1.766 1.00 0.38 C ATOM 685 CG2 VAL A 47 1.945 6.821 -1.183 1.00 0.32 C ATOM 0 H VAL A 47 2.548 5.293 -3.106 1.00 0.25 H new ATOM 0 HA VAL A 47 -0.066 5.117 -2.131 1.00 0.28 H new ATOM 0 HB VAL A 47 1.391 7.611 -3.079 1.00 0.31 H new ATOM 0 HG11 VAL A 47 0.053 8.757 -1.345 1.00 0.38 H new ATOM 0 HG12 VAL A 47 -0.974 8.003 -2.587 1.00 0.38 H new ATOM 0 HG13 VAL A 47 -0.789 7.229 -0.995 1.00 0.38 H new ATOM 0 HG21 VAL A 47 2.238 7.788 -0.774 1.00 0.32 H new ATOM 0 HG22 VAL A 47 1.509 6.209 -0.393 1.00 0.32 H new ATOM 0 HG23 VAL A 47 2.822 6.318 -1.589 1.00 0.32 H new ATOM 695 N VAL A 48 0.187 6.636 -5.101 1.00 0.25 N ATOM 696 CA VAL A 48 -0.441 6.887 -6.440 1.00 0.28 C ATOM 697 C VAL A 48 -1.181 5.623 -6.971 1.00 0.28 C ATOM 698 O VAL A 48 -2.391 5.667 -7.255 1.00 0.31 O ATOM 699 CB VAL A 48 0.668 7.255 -7.500 1.00 0.35 C ATOM 700 CG1 VAL A 48 0.087 7.415 -8.901 1.00 0.56 C ATOM 701 CG2 VAL A 48 1.403 8.516 -7.116 1.00 0.58 C ATOM 0 H VAL A 48 1.113 7.053 -5.004 1.00 0.25 H new ATOM 0 HA VAL A 48 -1.150 7.704 -6.308 1.00 0.28 H new ATOM 0 HB VAL A 48 1.371 6.422 -7.509 1.00 0.35 H new ATOM 0 HG11 VAL A 48 0.885 7.668 -9.599 1.00 0.56 H new ATOM 0 HG12 VAL A 48 -0.382 6.481 -9.209 1.00 0.56 H new ATOM 0 HG13 VAL A 48 -0.658 8.211 -8.897 1.00 0.56 H new ATOM 0 HG21 VAL A 48 2.159 8.740 -7.868 1.00 0.58 H new ATOM 0 HG22 VAL A 48 0.697 9.344 -7.054 1.00 0.58 H new ATOM 0 HG23 VAL A 48 1.884 8.376 -6.148 1.00 0.58 H new ATOM 711 N ALA A 49 -0.454 4.528 -7.109 1.00 0.29 N ATOM 712 CA ALA A 49 -0.993 3.288 -7.645 1.00 0.34 C ATOM 713 C ALA A 49 -2.087 2.692 -6.768 1.00 0.36 C ATOM 714 O ALA A 49 -3.036 2.148 -7.285 1.00 0.42 O ATOM 715 CB ALA A 49 0.106 2.277 -7.897 1.00 0.38 C ATOM 0 H ALA A 49 0.531 4.473 -6.852 1.00 0.29 H new ATOM 0 HA ALA A 49 -1.457 3.541 -8.599 1.00 0.34 H new ATOM 0 HB1 ALA A 49 -0.328 1.361 -8.297 1.00 0.38 H new ATOM 0 HB2 ALA A 49 0.818 2.685 -8.614 1.00 0.38 H new ATOM 0 HB3 ALA A 49 0.619 2.057 -6.961 1.00 0.38 H new ATOM 721 N ALA A 50 -1.965 2.809 -5.451 1.00 0.34 N ATOM 722 CA ALA A 50 -2.992 2.305 -4.531 1.00 0.37 C ATOM 723 C ALA A 50 -4.311 3.016 -4.788 1.00 0.36 C ATOM 724 O ALA A 50 -5.381 2.374 -4.867 1.00 0.38 O ATOM 725 CB ALA A 50 -2.564 2.486 -3.083 1.00 0.38 C ATOM 0 H ALA A 50 -1.167 3.248 -4.991 1.00 0.34 H new ATOM 0 HA ALA A 50 -3.122 1.238 -4.711 1.00 0.37 H new ATOM 0 HB1 ALA A 50 -3.343 2.104 -2.423 1.00 0.38 H new ATOM 0 HB2 ALA A 50 -1.638 1.939 -2.906 1.00 0.38 H new ATOM 0 HB3 ALA A 50 -2.404 3.545 -2.881 1.00 0.38 H new ATOM 731 N GLU A 51 -4.218 4.330 -4.989 1.00 0.36 N ATOM 732 CA GLU A 51 -5.361 5.163 -5.298 1.00 0.39 C ATOM 733 C GLU A 51 -6.013 4.686 -6.591 1.00 0.42 C ATOM 734 O GLU A 51 -7.210 4.526 -6.671 1.00 0.53 O ATOM 735 CB GLU A 51 -4.927 6.623 -5.473 1.00 0.37 C ATOM 736 CG GLU A 51 -4.242 7.252 -4.271 1.00 0.47 C ATOM 737 CD GLU A 51 -3.836 8.688 -4.536 1.00 0.94 C ATOM 738 OE1 GLU A 51 -2.753 8.928 -5.105 1.00 1.36 O ATOM 739 OE2 GLU A 51 -4.613 9.616 -4.222 1.00 1.11 O ATOM 0 H GLU A 51 -3.337 4.842 -4.940 1.00 0.36 H new ATOM 0 HA GLU A 51 -6.071 5.093 -4.474 1.00 0.39 H new ATOM 0 HB2 GLU A 51 -4.251 6.683 -6.326 1.00 0.37 H new ATOM 0 HB3 GLU A 51 -5.806 7.218 -5.720 1.00 0.37 H new ATOM 0 HG2 GLU A 51 -4.913 7.217 -3.412 1.00 0.47 H new ATOM 0 HG3 GLU A 51 -3.359 6.668 -4.010 1.00 0.47 H new ATOM 746 N GLU A 52 -5.195 4.405 -7.569 1.00 0.40 N ATOM 747 CA GLU A 52 -5.658 4.007 -8.889 1.00 0.48 C ATOM 748 C GLU A 52 -6.123 2.537 -8.941 1.00 0.43 C ATOM 749 O GLU A 52 -6.971 2.165 -9.762 1.00 0.55 O ATOM 750 CB GLU A 52 -4.529 4.245 -9.889 1.00 0.61 C ATOM 751 CG GLU A 52 -4.850 3.881 -11.322 1.00 0.77 C ATOM 752 CD GLU A 52 -3.742 4.256 -12.257 1.00 1.23 C ATOM 753 OE1 GLU A 52 -3.703 5.398 -12.743 1.00 1.49 O ATOM 754 OE2 GLU A 52 -2.892 3.405 -12.542 1.00 2.09 O ATOM 0 H GLU A 52 -4.180 4.443 -7.481 1.00 0.40 H new ATOM 0 HA GLU A 52 -6.530 4.610 -9.141 1.00 0.48 H new ATOM 0 HB2 GLU A 52 -4.249 5.298 -9.852 1.00 0.61 H new ATOM 0 HB3 GLU A 52 -3.658 3.672 -9.572 1.00 0.61 H new ATOM 0 HG2 GLU A 52 -5.036 2.809 -11.391 1.00 0.77 H new ATOM 0 HG3 GLU A 52 -5.768 4.384 -11.627 1.00 0.77 H new ATOM 761 N ARG A 53 -5.594 1.722 -8.067 1.00 0.34 N ATOM 762 CA ARG A 53 -5.853 0.295 -8.090 1.00 0.34 C ATOM 763 C ARG A 53 -7.150 -0.035 -7.395 1.00 0.31 C ATOM 764 O ARG A 53 -7.858 -0.953 -7.792 1.00 0.44 O ATOM 765 CB ARG A 53 -4.678 -0.460 -7.444 1.00 0.40 C ATOM 766 CG ARG A 53 -4.772 -1.982 -7.446 1.00 0.53 C ATOM 767 CD ARG A 53 -4.855 -2.558 -8.852 1.00 0.70 C ATOM 768 NE ARG A 53 -4.795 -4.029 -8.825 1.00 1.27 N ATOM 769 CZ ARG A 53 -5.745 -4.865 -9.271 1.00 1.88 C ATOM 770 NH1 ARG A 53 -6.848 -4.386 -9.842 1.00 2.23 N ATOM 771 NH2 ARG A 53 -5.564 -6.184 -9.166 1.00 2.75 N ATOM 0 H ARG A 53 -4.971 2.022 -7.317 1.00 0.34 H new ATOM 0 HA ARG A 53 -5.948 -0.023 -9.128 1.00 0.34 H new ATOM 0 HB2 ARG A 53 -3.762 -0.173 -7.960 1.00 0.40 H new ATOM 0 HB3 ARG A 53 -4.581 -0.124 -6.412 1.00 0.40 H new ATOM 0 HG2 ARG A 53 -3.902 -2.397 -6.937 1.00 0.53 H new ATOM 0 HG3 ARG A 53 -5.650 -2.289 -6.878 1.00 0.53 H new ATOM 0 HD2 ARG A 53 -5.783 -2.237 -9.326 1.00 0.70 H new ATOM 0 HD3 ARG A 53 -4.036 -2.168 -9.457 1.00 0.70 H new ATOM 0 HE ARG A 53 -3.954 -4.451 -8.431 1.00 1.27 H new ATOM 0 HH11 ARG A 53 -6.974 -3.379 -9.942 1.00 2.23 H new ATOM 0 HH12 ARG A 53 -7.567 -5.026 -10.179 1.00 2.23 H new ATOM 0 HH21 ARG A 53 -4.708 -6.550 -8.749 1.00 2.75 H new ATOM 0 HH22 ARG A 53 -6.282 -6.826 -9.503 1.00 2.75 H new ATOM 785 N PHE A 54 -7.461 0.698 -6.361 1.00 0.25 N ATOM 786 CA PHE A 54 -8.664 0.424 -5.609 1.00 0.31 C ATOM 787 C PHE A 54 -9.681 1.554 -5.769 1.00 0.32 C ATOM 788 O PHE A 54 -10.779 1.498 -5.203 1.00 0.36 O ATOM 789 CB PHE A 54 -8.317 0.215 -4.139 1.00 0.38 C ATOM 790 CG PHE A 54 -7.273 -0.842 -3.882 1.00 0.38 C ATOM 791 CD1 PHE A 54 -7.480 -2.143 -4.311 1.00 0.69 C ATOM 792 CD2 PHE A 54 -6.093 -0.540 -3.222 1.00 0.62 C ATOM 793 CE1 PHE A 54 -6.537 -3.121 -4.086 1.00 0.73 C ATOM 794 CE2 PHE A 54 -5.151 -1.516 -2.992 1.00 0.63 C ATOM 795 CZ PHE A 54 -5.337 -2.759 -3.394 1.00 0.46 C ATOM 0 H PHE A 54 -6.907 1.483 -6.019 1.00 0.25 H new ATOM 0 HA PHE A 54 -9.118 -0.487 -5.999 1.00 0.31 H new ATOM 0 HB2 PHE A 54 -7.967 1.160 -3.724 1.00 0.38 H new ATOM 0 HB3 PHE A 54 -9.226 -0.053 -3.600 1.00 0.38 H new ATOM 0 HD1 PHE A 54 -8.394 -2.394 -4.829 1.00 0.69 H new ATOM 0 HD2 PHE A 54 -5.911 0.470 -2.885 1.00 0.62 H new ATOM 0 HE1 PHE A 54 -6.698 -4.134 -4.423 1.00 0.73 H new ATOM 0 HE2 PHE A 54 -4.240 -1.259 -2.471 1.00 0.63 H new ATOM 0 HZ PHE A 54 -4.581 -3.506 -3.200 1.00 0.46 H new ATOM 805 N ASP A 55 -9.282 2.582 -6.533 1.00 0.38 N ATOM 806 CA ASP A 55 -10.093 3.799 -6.831 1.00 0.45 C ATOM 807 C ASP A 55 -10.373 4.644 -5.592 1.00 0.50 C ATOM 808 O ASP A 55 -11.203 5.559 -5.605 1.00 0.89 O ATOM 809 CB ASP A 55 -11.386 3.488 -7.607 1.00 0.51 C ATOM 810 CG ASP A 55 -11.131 3.040 -9.026 1.00 1.10 C ATOM 811 OD1 ASP A 55 -10.601 3.842 -9.839 1.00 1.24 O ATOM 812 OD2 ASP A 55 -11.410 1.852 -9.350 1.00 2.02 O ATOM 0 H ASP A 55 -8.364 2.602 -6.978 1.00 0.38 H new ATOM 0 HA ASP A 55 -9.469 4.402 -7.491 1.00 0.45 H new ATOM 0 HB2 ASP A 55 -11.941 2.711 -7.081 1.00 0.51 H new ATOM 0 HB3 ASP A 55 -12.017 4.376 -7.621 1.00 0.51 H new ATOM 817 N VAL A 56 -9.619 4.390 -4.562 1.00 0.40 N ATOM 818 CA VAL A 56 -9.781 5.063 -3.303 1.00 0.48 C ATOM 819 C VAL A 56 -8.740 6.154 -3.149 1.00 0.67 C ATOM 820 O VAL A 56 -7.542 5.920 -3.299 1.00 1.61 O ATOM 821 CB VAL A 56 -9.709 4.058 -2.114 1.00 0.50 C ATOM 822 CG1 VAL A 56 -8.435 3.242 -2.146 1.00 1.07 C ATOM 823 CG2 VAL A 56 -9.835 4.771 -0.778 1.00 1.21 C ATOM 0 H VAL A 56 -8.866 3.702 -4.571 1.00 0.40 H new ATOM 0 HA VAL A 56 -10.769 5.523 -3.289 1.00 0.48 H new ATOM 0 HB VAL A 56 -10.553 3.377 -2.227 1.00 0.50 H new ATOM 0 HG11 VAL A 56 -8.423 2.553 -1.301 1.00 1.07 H new ATOM 0 HG12 VAL A 56 -8.389 2.676 -3.076 1.00 1.07 H new ATOM 0 HG13 VAL A 56 -7.575 3.908 -2.084 1.00 1.07 H new ATOM 0 HG21 VAL A 56 -9.781 4.042 0.030 1.00 1.21 H new ATOM 0 HG22 VAL A 56 -9.024 5.491 -0.672 1.00 1.21 H new ATOM 0 HG23 VAL A 56 -10.791 5.293 -0.733 1.00 1.21 H new ATOM 833 N LYS A 57 -9.212 7.345 -2.952 1.00 0.51 N ATOM 834 CA LYS A 57 -8.354 8.470 -2.702 1.00 0.49 C ATOM 835 C LYS A 57 -7.609 8.291 -1.378 1.00 0.40 C ATOM 836 O LYS A 57 -8.194 8.398 -0.292 1.00 0.52 O ATOM 837 CB LYS A 57 -9.151 9.799 -2.717 1.00 0.67 C ATOM 838 CG LYS A 57 -8.315 11.030 -2.358 1.00 1.22 C ATOM 839 CD LYS A 57 -7.126 11.169 -3.287 1.00 1.26 C ATOM 840 CE LYS A 57 -6.167 12.244 -2.821 1.00 1.28 C ATOM 841 NZ LYS A 57 -4.944 12.282 -3.649 1.00 1.67 N ATOM 0 H LYS A 57 -10.207 7.570 -2.959 1.00 0.51 H new ATOM 0 HA LYS A 57 -7.619 8.520 -3.505 1.00 0.49 H new ATOM 0 HB2 LYS A 57 -9.582 9.941 -3.708 1.00 0.67 H new ATOM 0 HB3 LYS A 57 -9.982 9.720 -2.017 1.00 0.67 H new ATOM 0 HG2 LYS A 57 -8.935 11.925 -2.418 1.00 1.22 H new ATOM 0 HG3 LYS A 57 -7.969 10.951 -1.328 1.00 1.22 H new ATOM 0 HD2 LYS A 57 -6.601 10.216 -3.349 1.00 1.26 H new ATOM 0 HD3 LYS A 57 -7.476 11.406 -4.292 1.00 1.26 H new ATOM 0 HE2 LYS A 57 -6.662 13.214 -2.859 1.00 1.28 H new ATOM 0 HE3 LYS A 57 -5.897 12.064 -1.781 1.00 1.28 H new ATOM 0 HZ1 LYS A 57 -4.131 12.544 -3.056 1.00 1.67 H new ATOM 0 HZ2 LYS A 57 -4.779 11.345 -4.068 1.00 1.67 H new ATOM 0 HZ3 LYS A 57 -5.060 12.984 -4.407 1.00 1.67 H new ATOM 855 N ILE A 58 -6.352 7.960 -1.489 1.00 0.37 N ATOM 856 CA ILE A 58 -5.473 7.840 -0.363 1.00 0.33 C ATOM 857 C ILE A 58 -4.417 8.903 -0.535 1.00 0.32 C ATOM 858 O ILE A 58 -3.499 8.739 -1.328 1.00 0.35 O ATOM 859 CB ILE A 58 -4.764 6.465 -0.306 1.00 0.33 C ATOM 860 CG1 ILE A 58 -5.774 5.328 -0.399 1.00 0.39 C ATOM 861 CG2 ILE A 58 -3.960 6.347 0.993 1.00 0.38 C ATOM 862 CD1 ILE A 58 -5.133 3.967 -0.478 1.00 0.49 C ATOM 0 H ILE A 58 -5.903 7.763 -2.383 1.00 0.37 H new ATOM 0 HA ILE A 58 -6.052 7.946 0.554 1.00 0.33 H new ATOM 0 HB ILE A 58 -4.087 6.391 -1.157 1.00 0.33 H new ATOM 0 HG12 ILE A 58 -6.431 5.363 0.470 1.00 0.39 H new ATOM 0 HG13 ILE A 58 -6.400 5.479 -1.278 1.00 0.39 H new ATOM 0 HG21 ILE A 58 -3.464 5.377 1.027 1.00 0.38 H new ATOM 0 HG22 ILE A 58 -3.212 7.139 1.031 1.00 0.38 H new ATOM 0 HG23 ILE A 58 -4.632 6.441 1.846 1.00 0.38 H new ATOM 0 HD11 ILE A 58 -5.908 3.203 -0.542 1.00 0.49 H new ATOM 0 HD12 ILE A 58 -4.498 3.915 -1.362 1.00 0.49 H new ATOM 0 HD13 ILE A 58 -4.529 3.797 0.413 1.00 0.49 H new ATOM 874 N PRO A 59 -4.555 10.025 0.137 1.00 0.39 N ATOM 875 CA PRO A 59 -3.615 11.111 -0.006 1.00 0.44 C ATOM 876 C PRO A 59 -2.264 10.777 0.607 1.00 0.37 C ATOM 877 O PRO A 59 -2.200 10.092 1.636 1.00 0.39 O ATOM 878 CB PRO A 59 -4.262 12.275 0.766 1.00 0.62 C ATOM 879 CG PRO A 59 -5.643 11.825 1.109 1.00 0.57 C ATOM 880 CD PRO A 59 -5.619 10.330 1.098 1.00 0.50 C ATOM 0 HA PRO A 59 -3.424 11.337 -1.055 1.00 0.44 H new ATOM 0 HB2 PRO A 59 -3.694 12.510 1.666 1.00 0.62 H new ATOM 0 HB3 PRO A 59 -4.286 13.180 0.159 1.00 0.62 H new ATOM 0 HG2 PRO A 59 -5.941 12.201 2.088 1.00 0.57 H new ATOM 0 HG3 PRO A 59 -6.365 12.206 0.387 1.00 0.57 H new ATOM 0 HD2 PRO A 59 -5.400 9.922 2.085 1.00 0.50 H new ATOM 0 HD3 PRO A 59 -6.577 9.913 0.786 1.00 0.50 H new ATOM 888 N ASP A 60 -1.187 11.233 -0.047 1.00 0.39 N ATOM 889 CA ASP A 60 0.204 11.192 0.477 1.00 0.46 C ATOM 890 C ASP A 60 0.282 11.625 1.947 1.00 0.50 C ATOM 891 O ASP A 60 1.218 11.271 2.645 1.00 0.63 O ATOM 892 CB ASP A 60 1.113 12.136 -0.319 1.00 0.64 C ATOM 893 CG ASP A 60 1.175 11.844 -1.785 1.00 1.34 C ATOM 894 OD1 ASP A 60 0.203 12.165 -2.507 1.00 2.00 O ATOM 895 OD2 ASP A 60 2.202 11.327 -2.260 1.00 1.93 O ATOM 0 H ASP A 60 -1.249 11.651 -0.975 1.00 0.39 H new ATOM 0 HA ASP A 60 0.530 10.157 0.380 1.00 0.46 H new ATOM 0 HB2 ASP A 60 0.765 13.159 -0.179 1.00 0.64 H new ATOM 0 HB3 ASP A 60 2.121 12.083 0.093 1.00 0.64 H new ATOM 900 N ASP A 61 -0.674 12.420 2.381 1.00 0.51 N ATOM 901 CA ASP A 61 -0.781 12.861 3.768 1.00 0.63 C ATOM 902 C ASP A 61 -1.256 11.708 4.645 1.00 0.62 C ATOM 903 O ASP A 61 -0.554 11.264 5.545 1.00 0.74 O ATOM 904 CB ASP A 61 -1.794 14.006 3.896 1.00 0.74 C ATOM 905 CG ASP A 61 -1.439 15.239 3.111 1.00 1.36 C ATOM 906 OD1 ASP A 61 -1.653 15.265 1.881 1.00 2.09 O ATOM 907 OD2 ASP A 61 -0.928 16.201 3.703 1.00 1.65 O ATOM 0 H ASP A 61 -1.411 12.786 1.778 1.00 0.51 H new ATOM 0 HA ASP A 61 0.203 13.203 4.088 1.00 0.63 H new ATOM 0 HB2 ASP A 61 -2.770 13.650 3.568 1.00 0.74 H new ATOM 0 HB3 ASP A 61 -1.890 14.275 4.948 1.00 0.74 H new ATOM 912 N ASP A 62 -2.432 11.182 4.329 1.00 0.57 N ATOM 913 CA ASP A 62 -3.057 10.099 5.129 1.00 0.65 C ATOM 914 C ASP A 62 -2.284 8.839 5.046 1.00 0.53 C ATOM 915 O ASP A 62 -2.242 8.075 6.005 1.00 0.59 O ATOM 916 CB ASP A 62 -4.508 9.798 4.723 1.00 0.80 C ATOM 917 CG ASP A 62 -5.503 10.882 5.026 1.00 0.98 C ATOM 918 OD1 ASP A 62 -5.142 11.904 5.639 1.00 1.58 O ATOM 919 OD2 ASP A 62 -6.686 10.728 4.650 1.00 1.54 O ATOM 0 H ASP A 62 -2.985 11.478 3.525 1.00 0.57 H new ATOM 0 HA ASP A 62 -3.056 10.477 6.151 1.00 0.65 H new ATOM 0 HB2 ASP A 62 -4.533 9.595 3.652 1.00 0.80 H new ATOM 0 HB3 ASP A 62 -4.826 8.886 5.227 1.00 0.80 H new ATOM 924 N VAL A 63 -1.645 8.629 3.929 1.00 0.42 N ATOM 925 CA VAL A 63 -0.887 7.431 3.698 1.00 0.39 C ATOM 926 C VAL A 63 0.259 7.295 4.725 1.00 0.44 C ATOM 927 O VAL A 63 0.676 6.192 5.058 1.00 0.50 O ATOM 928 CB VAL A 63 -0.353 7.358 2.240 1.00 0.41 C ATOM 929 CG1 VAL A 63 0.899 8.182 2.028 1.00 0.69 C ATOM 930 CG2 VAL A 63 -0.166 5.944 1.793 1.00 0.59 C ATOM 0 H VAL A 63 -1.635 9.287 3.150 1.00 0.42 H new ATOM 0 HA VAL A 63 -1.561 6.586 3.834 1.00 0.39 H new ATOM 0 HB VAL A 63 -1.122 7.806 1.610 1.00 0.41 H new ATOM 0 HG11 VAL A 63 1.223 8.091 0.991 1.00 0.69 H new ATOM 0 HG12 VAL A 63 0.688 9.228 2.252 1.00 0.69 H new ATOM 0 HG13 VAL A 63 1.688 7.822 2.688 1.00 0.69 H new ATOM 0 HG21 VAL A 63 0.208 5.932 0.769 1.00 0.59 H new ATOM 0 HG22 VAL A 63 0.551 5.447 2.447 1.00 0.59 H new ATOM 0 HG23 VAL A 63 -1.121 5.419 1.836 1.00 0.59 H new ATOM 940 N LYS A 64 0.684 8.437 5.299 1.00 0.49 N ATOM 941 CA LYS A 64 1.762 8.445 6.270 1.00 0.63 C ATOM 942 C LYS A 64 1.287 7.836 7.589 1.00 0.64 C ATOM 943 O LYS A 64 2.077 7.391 8.410 1.00 0.85 O ATOM 944 CB LYS A 64 2.287 9.865 6.533 1.00 0.76 C ATOM 945 CG LYS A 64 2.574 10.696 5.290 1.00 0.76 C ATOM 946 CD LYS A 64 3.222 12.019 5.663 1.00 1.04 C ATOM 947 CE LYS A 64 3.131 13.054 4.544 1.00 1.55 C ATOM 948 NZ LYS A 64 3.632 12.559 3.249 1.00 2.44 N ATOM 0 H LYS A 64 0.290 9.356 5.099 1.00 0.49 H new ATOM 0 HA LYS A 64 2.575 7.851 5.853 1.00 0.63 H new ATOM 0 HB2 LYS A 64 1.557 10.396 7.144 1.00 0.76 H new ATOM 0 HB3 LYS A 64 3.202 9.793 7.120 1.00 0.76 H new ATOM 0 HG2 LYS A 64 3.230 10.141 4.619 1.00 0.76 H new ATOM 0 HG3 LYS A 64 1.646 10.880 4.748 1.00 0.76 H new ATOM 0 HD2 LYS A 64 2.742 12.414 6.558 1.00 1.04 H new ATOM 0 HD3 LYS A 64 4.270 11.849 5.911 1.00 1.04 H new ATOM 0 HE2 LYS A 64 2.092 13.364 4.429 1.00 1.55 H new ATOM 0 HE3 LYS A 64 3.698 13.939 4.831 1.00 1.55 H new ATOM 0 HZ1 LYS A 64 3.894 13.365 2.647 1.00 2.44 H new ATOM 0 HZ2 LYS A 64 4.466 11.958 3.406 1.00 2.44 H new ATOM 0 HZ3 LYS A 64 2.889 12.003 2.779 1.00 2.44 H new ATOM 962 N ASN A 65 -0.010 7.803 7.760 1.00 0.51 N ATOM 963 CA ASN A 65 -0.619 7.304 8.979 1.00 0.57 C ATOM 964 C ASN A 65 -0.857 5.818 8.879 1.00 0.50 C ATOM 965 O ASN A 65 -1.019 5.130 9.892 1.00 0.66 O ATOM 966 CB ASN A 65 -1.949 8.030 9.256 1.00 0.65 C ATOM 967 CG ASN A 65 -1.769 9.511 9.533 1.00 1.37 C ATOM 968 OD1 ASN A 65 -1.599 9.928 10.684 1.00 1.93 O ATOM 969 ND2 ASN A 65 -1.819 10.315 8.509 1.00 1.94 N ATOM 0 H ASN A 65 -0.680 8.121 7.060 1.00 0.51 H new ATOM 0 HA ASN A 65 0.065 7.497 9.805 1.00 0.57 H new ATOM 0 HB2 ASN A 65 -2.611 7.904 8.399 1.00 0.65 H new ATOM 0 HB3 ASN A 65 -2.440 7.563 10.110 1.00 0.65 H new ATOM 0 HD21 ASN A 65 -1.717 11.321 8.645 1.00 1.94 H new ATOM 0 HD22 ASN A 65 -1.961 9.939 7.572 1.00 1.94 H new ATOM 976 N LEU A 66 -0.857 5.322 7.663 1.00 0.42 N ATOM 977 CA LEU A 66 -1.112 3.923 7.412 1.00 0.43 C ATOM 978 C LEU A 66 0.126 3.117 7.762 1.00 0.66 C ATOM 979 O LEU A 66 0.126 2.341 8.709 1.00 1.67 O ATOM 980 CB LEU A 66 -1.503 3.706 5.940 1.00 0.41 C ATOM 981 CG LEU A 66 -2.674 4.552 5.422 1.00 0.38 C ATOM 982 CD1 LEU A 66 -2.896 4.308 3.945 1.00 0.45 C ATOM 983 CD2 LEU A 66 -3.942 4.255 6.198 1.00 0.39 C ATOM 0 H LEU A 66 -0.681 5.874 6.824 1.00 0.42 H new ATOM 0 HA LEU A 66 -1.943 3.589 8.034 1.00 0.43 H new ATOM 0 HB2 LEU A 66 -0.631 3.911 5.319 1.00 0.41 H new ATOM 0 HB3 LEU A 66 -1.752 2.654 5.803 1.00 0.41 H new ATOM 0 HG LEU A 66 -2.420 5.602 5.568 1.00 0.38 H new ATOM 0 HD11 LEU A 66 -3.730 4.917 3.597 1.00 0.45 H new ATOM 0 HD12 LEU A 66 -1.996 4.576 3.393 1.00 0.45 H new ATOM 0 HD13 LEU A 66 -3.122 3.255 3.780 1.00 0.45 H new ATOM 0 HD21 LEU A 66 -4.757 4.867 5.812 1.00 0.39 H new ATOM 0 HD22 LEU A 66 -4.197 3.201 6.089 1.00 0.39 H new ATOM 0 HD23 LEU A 66 -3.785 4.483 7.252 1.00 0.39 H new ATOM 995 N LYS A 67 1.176 3.319 6.999 1.00 0.54 N ATOM 996 CA LYS A 67 2.479 2.675 7.186 1.00 0.48 C ATOM 997 C LYS A 67 2.557 1.211 6.845 1.00 0.44 C ATOM 998 O LYS A 67 3.552 0.749 6.302 1.00 0.58 O ATOM 999 CB LYS A 67 3.153 3.001 8.518 1.00 0.60 C ATOM 1000 CG LYS A 67 3.982 4.235 8.434 1.00 0.99 C ATOM 1001 CD LYS A 67 5.144 3.984 7.502 1.00 1.79 C ATOM 1002 CE LYS A 67 5.838 5.259 7.136 1.00 2.52 C ATOM 1003 NZ LYS A 67 6.805 5.040 6.057 1.00 3.18 N ATOM 0 H LYS A 67 1.157 3.955 6.202 1.00 0.54 H new ATOM 0 HA LYS A 67 3.074 3.155 6.409 1.00 0.48 H new ATOM 0 HB2 LYS A 67 2.392 3.127 9.289 1.00 0.60 H new ATOM 0 HB3 LYS A 67 3.780 2.163 8.822 1.00 0.60 H new ATOM 0 HG2 LYS A 67 3.381 5.068 8.070 1.00 0.99 H new ATOM 0 HG3 LYS A 67 4.346 4.512 9.423 1.00 0.99 H new ATOM 0 HD2 LYS A 67 5.853 3.306 7.977 1.00 1.79 H new ATOM 0 HD3 LYS A 67 4.787 3.490 6.598 1.00 1.79 H new ATOM 0 HE2 LYS A 67 5.103 6.001 6.825 1.00 2.52 H new ATOM 0 HE3 LYS A 67 6.349 5.663 8.010 1.00 2.52 H new ATOM 0 HZ1 LYS A 67 7.272 5.939 5.822 1.00 3.18 H new ATOM 0 HZ2 LYS A 67 7.519 4.349 6.365 1.00 3.18 H new ATOM 0 HZ3 LYS A 67 6.311 4.677 5.217 1.00 3.18 H new ATOM 1017 N THR A 68 1.571 0.487 7.165 1.00 0.36 N ATOM 1018 CA THR A 68 1.596 -0.878 6.858 1.00 0.32 C ATOM 1019 C THR A 68 0.599 -1.216 5.816 1.00 0.30 C ATOM 1020 O THR A 68 -0.402 -0.500 5.628 1.00 0.35 O ATOM 1021 CB THR A 68 1.428 -1.765 8.096 1.00 0.35 C ATOM 1022 OG1 THR A 68 0.332 -1.297 8.895 1.00 0.51 O ATOM 1023 CG2 THR A 68 2.709 -1.798 8.899 1.00 0.34 C ATOM 0 H THR A 68 0.731 0.815 7.642 1.00 0.36 H new ATOM 0 HA THR A 68 2.588 -1.087 6.457 1.00 0.32 H new ATOM 0 HB THR A 68 1.206 -2.782 7.774 1.00 0.35 H new ATOM 0 HG1 THR A 68 0.232 -1.872 9.682 1.00 0.51 H new ATOM 0 HG21 THR A 68 2.573 -2.432 9.775 1.00 0.34 H new ATOM 0 HG22 THR A 68 3.514 -2.198 8.283 1.00 0.34 H new ATOM 0 HG23 THR A 68 2.964 -0.788 9.219 1.00 0.34 H new ATOM 1031 N VAL A 69 0.870 -2.295 5.144 1.00 0.27 N ATOM 1032 CA VAL A 69 0.010 -2.848 4.128 1.00 0.26 C ATOM 1033 C VAL A 69 -1.426 -3.029 4.662 1.00 0.27 C ATOM 1034 O VAL A 69 -2.392 -2.632 4.018 1.00 0.34 O ATOM 1035 CB VAL A 69 0.563 -4.211 3.649 1.00 0.28 C ATOM 1036 CG1 VAL A 69 1.747 -4.037 2.726 1.00 0.29 C ATOM 1037 CG2 VAL A 69 1.021 -4.995 4.822 1.00 0.35 C ATOM 0 H VAL A 69 1.723 -2.836 5.289 1.00 0.27 H new ATOM 0 HA VAL A 69 -0.016 -2.152 3.289 1.00 0.26 H new ATOM 0 HB VAL A 69 -0.238 -4.721 3.115 1.00 0.28 H new ATOM 0 HG11 VAL A 69 2.109 -5.015 2.410 1.00 0.29 H new ATOM 0 HG12 VAL A 69 1.445 -3.462 1.851 1.00 0.29 H new ATOM 0 HG13 VAL A 69 2.543 -3.508 3.251 1.00 0.29 H new ATOM 0 HG21 VAL A 69 1.411 -5.956 4.487 1.00 0.35 H new ATOM 0 HG22 VAL A 69 1.806 -4.446 5.343 1.00 0.35 H new ATOM 0 HG23 VAL A 69 0.183 -5.160 5.499 1.00 0.35 H new ATOM 1047 N GLY A 70 -1.539 -3.616 5.842 1.00 0.26 N ATOM 1048 CA GLY A 70 -2.821 -3.860 6.449 1.00 0.30 C ATOM 1049 C GLY A 70 -3.524 -2.608 6.894 1.00 0.28 C ATOM 1050 O GLY A 70 -4.752 -2.548 6.856 1.00 0.30 O ATOM 0 H GLY A 70 -0.744 -3.932 6.397 1.00 0.26 H new ATOM 0 HA2 GLY A 70 -3.455 -4.390 5.738 1.00 0.30 H new ATOM 0 HA3 GLY A 70 -2.688 -4.517 7.309 1.00 0.30 H new ATOM 1054 N ASP A 71 -2.766 -1.597 7.294 1.00 0.29 N ATOM 1055 CA ASP A 71 -3.373 -0.354 7.760 1.00 0.32 C ATOM 1056 C ASP A 71 -3.896 0.383 6.557 1.00 0.27 C ATOM 1057 O ASP A 71 -4.980 0.969 6.591 1.00 0.29 O ATOM 1058 CB ASP A 71 -2.361 0.511 8.495 1.00 0.46 C ATOM 1059 CG ASP A 71 -2.999 1.534 9.424 1.00 1.01 C ATOM 1060 OD1 ASP A 71 -3.721 2.435 8.972 1.00 1.19 O ATOM 1061 OD2 ASP A 71 -2.775 1.445 10.645 1.00 1.79 O ATOM 0 H ASP A 71 -1.746 -1.609 7.307 1.00 0.29 H new ATOM 0 HA ASP A 71 -4.179 -0.581 8.458 1.00 0.32 H new ATOM 0 HB2 ASP A 71 -1.699 -0.132 9.075 1.00 0.46 H new ATOM 0 HB3 ASP A 71 -1.741 1.031 7.765 1.00 0.46 H new ATOM 1066 N ALA A 72 -3.120 0.309 5.469 1.00 0.26 N ATOM 1067 CA ALA A 72 -3.513 0.858 4.189 1.00 0.26 C ATOM 1068 C ALA A 72 -4.797 0.204 3.762 1.00 0.25 C ATOM 1069 O ALA A 72 -5.768 0.876 3.488 1.00 0.26 O ATOM 1070 CB ALA A 72 -2.434 0.617 3.153 1.00 0.29 C ATOM 0 H ALA A 72 -2.202 -0.136 5.463 1.00 0.26 H new ATOM 0 HA ALA A 72 -3.656 1.935 4.281 1.00 0.26 H new ATOM 0 HB1 ALA A 72 -2.747 1.037 2.197 1.00 0.29 H new ATOM 0 HB2 ALA A 72 -1.509 1.095 3.474 1.00 0.29 H new ATOM 0 HB3 ALA A 72 -2.269 -0.455 3.042 1.00 0.29 H new ATOM 1076 N THR A 73 -4.779 -1.117 3.730 1.00 0.25 N ATOM 1077 CA THR A 73 -5.941 -1.932 3.480 1.00 0.26 C ATOM 1078 C THR A 73 -7.140 -1.509 4.339 1.00 0.28 C ATOM 1079 O THR A 73 -8.205 -1.358 3.818 1.00 0.31 O ATOM 1080 CB THR A 73 -5.586 -3.387 3.750 1.00 0.27 C ATOM 1081 OG1 THR A 73 -4.530 -3.752 2.862 1.00 0.28 O ATOM 1082 CG2 THR A 73 -6.779 -4.293 3.536 1.00 0.28 C ATOM 0 H THR A 73 -3.930 -1.661 3.882 1.00 0.25 H new ATOM 0 HA THR A 73 -6.236 -1.801 2.439 1.00 0.26 H new ATOM 0 HB THR A 73 -5.275 -3.499 4.789 1.00 0.27 H new ATOM 0 HG1 THR A 73 -3.670 -3.484 3.248 1.00 0.28 H new ATOM 0 HG21 THR A 73 -6.493 -5.325 3.737 1.00 0.28 H new ATOM 0 HG22 THR A 73 -7.583 -4.001 4.212 1.00 0.28 H new ATOM 0 HG23 THR A 73 -7.122 -4.206 2.505 1.00 0.28 H new ATOM 1090 N LYS A 74 -6.949 -1.326 5.639 1.00 0.29 N ATOM 1091 CA LYS A 74 -8.006 -0.866 6.537 1.00 0.34 C ATOM 1092 C LYS A 74 -8.605 0.465 6.057 1.00 0.31 C ATOM 1093 O LYS A 74 -9.823 0.652 6.068 1.00 0.37 O ATOM 1094 CB LYS A 74 -7.421 -0.728 7.936 1.00 0.41 C ATOM 1095 CG LYS A 74 -8.308 -0.050 8.964 1.00 0.58 C ATOM 1096 CD LYS A 74 -7.608 0.007 10.311 1.00 1.60 C ATOM 1097 CE LYS A 74 -6.243 0.699 10.220 1.00 2.24 C ATOM 1098 NZ LYS A 74 -6.307 2.108 9.737 1.00 2.93 N ATOM 0 H LYS A 74 -6.056 -1.492 6.103 1.00 0.29 H new ATOM 0 HA LYS A 74 -8.818 -1.593 6.546 1.00 0.34 H new ATOM 0 HB2 LYS A 74 -7.169 -1.723 8.303 1.00 0.41 H new ATOM 0 HB3 LYS A 74 -6.488 -0.169 7.865 1.00 0.41 H new ATOM 0 HG2 LYS A 74 -8.555 0.958 8.632 1.00 0.58 H new ATOM 0 HG3 LYS A 74 -9.248 -0.594 9.058 1.00 0.58 H new ATOM 0 HD2 LYS A 74 -8.237 0.539 11.024 1.00 1.60 H new ATOM 0 HD3 LYS A 74 -7.477 -1.005 10.694 1.00 1.60 H new ATOM 0 HE2 LYS A 74 -5.774 0.684 11.204 1.00 2.24 H new ATOM 0 HE3 LYS A 74 -5.601 0.126 9.552 1.00 2.24 H new ATOM 0 HZ1 LYS A 74 -5.347 2.507 9.703 1.00 2.93 H new ATOM 0 HZ2 LYS A 74 -6.725 2.130 8.785 1.00 2.93 H new ATOM 0 HZ3 LYS A 74 -6.893 2.671 10.386 1.00 2.93 H new ATOM 1112 N TYR A 75 -7.748 1.346 5.583 1.00 0.26 N ATOM 1113 CA TYR A 75 -8.166 2.642 5.095 1.00 0.25 C ATOM 1114 C TYR A 75 -8.927 2.445 3.812 1.00 0.23 C ATOM 1115 O TYR A 75 -10.004 2.969 3.641 1.00 0.29 O ATOM 1116 CB TYR A 75 -6.947 3.535 4.858 1.00 0.29 C ATOM 1117 CG TYR A 75 -7.249 4.962 4.430 1.00 0.30 C ATOM 1118 CD1 TYR A 75 -7.499 5.960 5.367 1.00 0.41 C ATOM 1119 CD2 TYR A 75 -7.302 5.302 3.087 1.00 0.36 C ATOM 1120 CE1 TYR A 75 -7.786 7.252 4.974 1.00 0.47 C ATOM 1121 CE2 TYR A 75 -7.587 6.592 2.689 1.00 0.42 C ATOM 1122 CZ TYR A 75 -7.778 7.580 3.659 1.00 0.45 C ATOM 1123 OH TYR A 75 -8.105 8.854 3.238 1.00 0.53 O ATOM 0 H TYR A 75 -6.743 1.183 5.526 1.00 0.26 H new ATOM 0 HA TYR A 75 -8.804 3.129 5.832 1.00 0.25 H new ATOM 0 HB2 TYR A 75 -6.359 3.567 5.775 1.00 0.29 H new ATOM 0 HB3 TYR A 75 -6.322 3.071 4.095 1.00 0.29 H new ATOM 0 HD1 TYR A 75 -7.468 5.720 6.419 1.00 0.41 H new ATOM 0 HD2 TYR A 75 -7.117 4.544 2.340 1.00 0.36 H new ATOM 0 HE1 TYR A 75 -8.017 8.002 5.716 1.00 0.47 H new ATOM 0 HE2 TYR A 75 -7.662 6.836 1.639 1.00 0.42 H new ATOM 0 HH TYR A 75 -7.602 9.511 3.763 1.00 0.53 H new ATOM 1133 N ILE A 76 -8.359 1.645 2.938 1.00 0.22 N ATOM 1134 CA ILE A 76 -8.943 1.320 1.656 1.00 0.23 C ATOM 1135 C ILE A 76 -10.283 0.664 1.850 1.00 0.24 C ATOM 1136 O ILE A 76 -11.262 1.105 1.279 1.00 0.27 O ATOM 1137 CB ILE A 76 -7.996 0.390 0.869 1.00 0.22 C ATOM 1138 CG1 ILE A 76 -6.688 1.128 0.603 1.00 0.23 C ATOM 1139 CG2 ILE A 76 -8.643 -0.073 -0.439 1.00 0.25 C ATOM 1140 CD1 ILE A 76 -5.573 0.272 0.071 1.00 0.25 C ATOM 0 H ILE A 76 -7.460 1.193 3.102 1.00 0.22 H new ATOM 0 HA ILE A 76 -9.086 2.238 1.086 1.00 0.23 H new ATOM 0 HB ILE A 76 -7.792 -0.503 1.460 1.00 0.22 H new ATOM 0 HG12 ILE A 76 -6.880 1.932 -0.108 1.00 0.23 H new ATOM 0 HG13 ILE A 76 -6.357 1.595 1.530 1.00 0.23 H new ATOM 0 HG21 ILE A 76 -7.954 -0.727 -0.974 1.00 0.25 H new ATOM 0 HG22 ILE A 76 -9.562 -0.616 -0.218 1.00 0.25 H new ATOM 0 HG23 ILE A 76 -8.874 0.794 -1.058 1.00 0.25 H new ATOM 0 HD11 ILE A 76 -4.686 0.886 -0.086 1.00 0.25 H new ATOM 0 HD12 ILE A 76 -5.346 -0.517 0.788 1.00 0.25 H new ATOM 0 HD13 ILE A 76 -5.877 -0.175 -0.876 1.00 0.25 H new ATOM 1152 N LEU A 77 -10.306 -0.360 2.677 1.00 0.24 N ATOM 1153 CA LEU A 77 -11.497 -1.135 2.985 1.00 0.29 C ATOM 1154 C LEU A 77 -12.632 -0.246 3.429 1.00 0.34 C ATOM 1155 O LEU A 77 -13.761 -0.410 2.978 1.00 0.43 O ATOM 1156 CB LEU A 77 -11.208 -2.145 4.098 1.00 0.30 C ATOM 1157 CG LEU A 77 -12.401 -2.970 4.565 1.00 0.40 C ATOM 1158 CD1 LEU A 77 -12.792 -4.026 3.554 1.00 0.88 C ATOM 1159 CD2 LEU A 77 -12.179 -3.543 5.949 1.00 1.15 C ATOM 0 H LEU A 77 -9.475 -0.688 3.169 1.00 0.24 H new ATOM 0 HA LEU A 77 -11.785 -1.656 2.072 1.00 0.29 H new ATOM 0 HB2 LEU A 77 -10.431 -2.827 3.753 1.00 0.30 H new ATOM 0 HB3 LEU A 77 -10.803 -1.608 4.955 1.00 0.30 H new ATOM 0 HG LEU A 77 -13.251 -2.292 4.642 1.00 0.40 H new ATOM 0 HD11 LEU A 77 -13.646 -4.590 3.929 1.00 0.88 H new ATOM 0 HD12 LEU A 77 -13.058 -3.547 2.612 1.00 0.88 H new ATOM 0 HD13 LEU A 77 -11.953 -4.703 3.392 1.00 0.88 H new ATOM 0 HD21 LEU A 77 -13.052 -4.125 6.246 1.00 1.15 H new ATOM 0 HD22 LEU A 77 -11.300 -4.187 5.939 1.00 1.15 H new ATOM 0 HD23 LEU A 77 -12.026 -2.730 6.659 1.00 1.15 H new ATOM 1171 N ASP A 78 -12.317 0.705 4.259 1.00 0.32 N ATOM 1172 CA ASP A 78 -13.336 1.546 4.852 1.00 0.39 C ATOM 1173 C ASP A 78 -13.698 2.712 3.964 1.00 0.41 C ATOM 1174 O ASP A 78 -14.867 3.064 3.828 1.00 0.50 O ATOM 1175 CB ASP A 78 -12.864 2.063 6.187 1.00 0.45 C ATOM 1176 CG ASP A 78 -13.923 2.840 6.920 1.00 0.57 C ATOM 1177 OD1 ASP A 78 -14.876 2.235 7.429 1.00 0.67 O ATOM 1178 OD2 ASP A 78 -13.813 4.075 7.013 1.00 0.64 O ATOM 0 H ASP A 78 -11.363 0.924 4.546 1.00 0.32 H new ATOM 0 HA ASP A 78 -14.228 0.932 4.981 1.00 0.39 H new ATOM 0 HB2 ASP A 78 -12.544 1.223 6.804 1.00 0.45 H new ATOM 0 HB3 ASP A 78 -11.992 2.699 6.037 1.00 0.45 H new ATOM 1183 N HIS A 79 -12.696 3.310 3.370 1.00 0.37 N ATOM 1184 CA HIS A 79 -12.875 4.483 2.540 1.00 0.43 C ATOM 1185 C HIS A 79 -13.539 4.107 1.229 1.00 0.51 C ATOM 1186 O HIS A 79 -14.618 4.617 0.909 1.00 0.91 O ATOM 1187 CB HIS A 79 -11.519 5.144 2.258 1.00 0.48 C ATOM 1188 CG HIS A 79 -11.442 6.610 2.550 1.00 0.83 C ATOM 1189 ND1 HIS A 79 -11.330 7.574 1.579 1.00 1.18 N ATOM 1190 CD2 HIS A 79 -11.394 7.267 3.724 1.00 1.15 C ATOM 1191 CE1 HIS A 79 -11.212 8.747 2.138 1.00 1.53 C ATOM 1192 NE2 HIS A 79 -11.249 8.594 3.437 1.00 1.52 N ATOM 0 H HIS A 79 -11.728 2.999 3.447 1.00 0.37 H new ATOM 0 HA HIS A 79 -13.514 5.187 3.073 1.00 0.43 H new ATOM 0 HB2 HIS A 79 -10.757 4.634 2.847 1.00 0.48 H new ATOM 0 HB3 HIS A 79 -11.269 4.987 1.209 1.00 0.48 H new ATOM 0 HD2 HIS A 79 -11.458 6.827 4.708 1.00 1.15 H new ATOM 0 HE1 HIS A 79 -11.102 9.686 1.616 1.00 1.53 H new ATOM 0 HE2 HIS A 79 -11.181 9.345 4.124 1.00 1.52 H new ATOM 1201 N GLN A 80 -12.913 3.153 0.508 1.00 0.41 N ATOM 1202 CA GLN A 80 -13.332 2.728 -0.841 1.00 0.55 C ATOM 1203 C GLN A 80 -13.560 3.916 -1.798 1.00 0.62 C ATOM 1204 O GLN A 80 -13.209 5.058 -1.502 1.00 0.89 O ATOM 1205 CB GLN A 80 -14.588 1.871 -0.758 1.00 0.87 C ATOM 1206 CG GLN A 80 -14.406 0.559 -0.033 1.00 0.64 C ATOM 1207 CD GLN A 80 -13.388 -0.346 -0.687 1.00 0.49 C ATOM 1208 OE1 GLN A 80 -13.197 -0.343 -1.891 1.00 0.57 O ATOM 1209 NE2 GLN A 80 -12.721 -1.115 0.103 1.00 0.51 N ATOM 0 H GLN A 80 -12.094 2.652 0.851 1.00 0.41 H new ATOM 0 HA GLN A 80 -12.514 2.139 -1.255 1.00 0.55 H new ATOM 0 HB2 GLN A 80 -15.370 2.442 -0.257 1.00 0.87 H new ATOM 0 HB3 GLN A 80 -14.940 1.667 -1.769 1.00 0.87 H new ATOM 0 HG2 GLN A 80 -14.099 0.758 0.994 1.00 0.64 H new ATOM 0 HG3 GLN A 80 -15.364 0.042 0.015 1.00 0.64 H new ATOM 0 HE21 GLN A 80 -12.902 -1.096 1.107 1.00 0.51 H new ATOM 0 HE22 GLN A 80 -12.012 -1.743 -0.275 1.00 0.51 H new ATOM 1218 N ALA A 81 -14.069 3.623 -2.950 1.00 0.68 N ATOM 1219 CA ALA A 81 -14.465 4.630 -3.887 1.00 0.96 C ATOM 1220 C ALA A 81 -15.949 4.798 -3.762 1.00 1.47 C ATOM 1221 O ALA A 81 -16.678 3.882 -4.171 1.00 1.72 O ATOM 1222 CB ALA A 81 -14.099 4.232 -5.303 1.00 1.11 C ATOM 1223 OXT ALA A 81 -16.417 5.838 -3.253 1.00 2.36 O ATOM 0 H ALA A 81 -14.224 2.668 -3.273 1.00 0.68 H new ATOM 0 HA ALA A 81 -13.948 5.565 -3.672 1.00 0.96 H new ATOM 0 HB1 ALA A 81 -14.412 5.015 -5.993 1.00 1.11 H new ATOM 0 HB2 ALA A 81 -13.020 4.094 -5.375 1.00 1.11 H new ATOM 0 HB3 ALA A 81 -14.602 3.300 -5.560 1.00 1.11 H new